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************************************************************************
Estimation of logarithm of Partition Coefficient [n-Octanol/Water] Log(p)
************************************************************************
Log(p)........:
St..deviation.:
4.14
0.47
Log(p)........:
St..deviation.:
4.19
0.49
3.97
0.42
************************************************************************
Estimation of Molar Refractivity
************************************************************************
MR............:
72.02 [cm.cm.cm/mol]
St..deviation.:
1.27
MR............:
71.68 [cm.cm.cm/mol]
St..deviation.:
0.77
************************************************************************
Estimation of Henry's Constant (H)
************************************************************************
************************************************************************
Estimation of the Boiling and Freezing points.
************************************************************************
************************************************************************
Estimation of the Critical properties.
************************************************************************
************************************************************************
Estimation of the Thermodynamics properties
************************************************************************
Ideal gas thermal capacity for T= 298.15 [K] and p=1atm: 231.17 [J/(mol.K)]
Standard Error: Error was not estimated.
Joback fragmentation method
11.
*** Physical Property Report Generated By CS ChemProp ***
************************************************************************
Estimation of logarithm of Partition Coefficient [n-Octanol/Water] Log(p)
************************************************************************
Log(p)........:
St..deviation.:
3.46
0.47
Log(p)........:
St..deviation.:
3.42
0.49
3.48
0.44
************************************************************************
Estimation of Molar Refractivity
************************************************************************
MR............:
74.67 [cm.cm.cm/mol]
St..deviation.:
1.27
MR............:
73.34 [cm.cm.cm/mol]
St..deviation.:
0.77
************************************************************************
Estimation of Henry's Constant (H)
************************************************************************
************************************************************************
Estimation of the Boiling and Freezing points.
************************************************************************
************************************************************************
Estimation of the Critical properties.
************************************************************************
************************************************************************
Estimation of the Thermodynamics properties
************************************************************************
Ideal gas thermal capacity for T= 298.15 [K] and p=1atm: 255.80 [J/(mol.K)]
Standard Error: Error was not estimated.
Joback fragmentation method
9.
*** Physical Property Report Generated By CS ChemProp ***
************************************************************************
Estimation of logarithm of Partition Coefficient [n-Octanol/Water] Log(p)
************************************************************************
Log(p)........:
St..deviation.:
4.41
0.47
Log(p)........:
St..deviation.:
4.47
0.49
4.24
0.45
************************************************************************
Estimation of Molar Refractivity
************************************************************************
MR............:
75.11 [cm.cm.cm/mol]
St..deviation.:
1.27
MR............:
74.50 [cm.cm.cm/mol]
St..deviation.:
0.77
************************************************************************
Estimation of Henry's Constant (H)
************************************************************************
************************************************************************
Estimation of the Boiling and Freezing points.
************************************************************************
************************************************************************
Estimation of the Critical properties.
************************************************************************
************************************************************************
Estimation of the Thermodynamics properties
************************************************************************
Ideal gas thermal capacity for T= 298.15 [K] and p=1atm: 231.96 [J/(mol.K)]
Standard Error: Error was not estimated.
Joback fragmentation method
8.
*** Physical Property Report Generated By CS ChemProp ***
************************************************************************
Data from database
************************************************************************
<Name of molecule>
Benzalacetophenone
<Molecular formula>
C15 H12 O
<CAS>
94-41-7
<Molecular weight>
208.2597
<Reference>
LOUGH,C.E.,SUFFIELD MEMORANDUM NO 17/71;DEFENSE RES.
ESTABLISHMENT
<Reference>
CURRIE,D.,LOUGH,C.,SILVER,R. & HOLMES,H.,CAN.J.CHEM.44,1035(1966)
************************************************************************
Estimation of logarithm of Partition Coefficient [n-Octanol/Water] Log(p)
************************************************************************
Log(p)........:
St..deviation.:
3.59
0.47
Log(p)........:
St..deviation.:
3.68
0.49
3.35
0.37
************************************************************************
Estimation of Molar Refractivity
************************************************************************
MR............:
67.42 [cm.cm.cm/mol]
St..deviation.:
1.27
MR............:
66.88 [cm.cm.cm/mol]
St..deviation.:
0.77
************************************************************************
Estimation of Henry's Constant (H)
************************************************************************
************************************************************************
************************************************************************
Estimation of the Critical properties.
************************************************************************
************************************************************************
Estimation of the Thermodynamics properties
************************************************************************
Ideal gas thermal capacity for T= 298.15 [K] and p=1atm: 215.94 [J/(mol.K)]
Standard Error: Error was not estimated.
Joback fragmentation method
7.
*** Physical Property Report Generated By CS ChemProp ***
************************************************************************
Estimation of logarithm of Partition Coefficient [n-Octanol/Water] Log(p)
************************************************************************
Log(p)........:
St..deviation.:
4.43
0.47
Log(p)........:
St..deviation.:
4.40
0.49
4.39
0.61
************************************************************************
Estimation of Molar Refractivity
************************************************************************
MR............:
88.97 [cm.cm.cm/mol]
St..deviation.:
1.27
MR............:
87.44 [cm.cm.cm/mol]
St..deviation.:
0.77
************************************************************************
Estimation of Henry's Constant (H)
************************************************************************
************************************************************************
Estimation of the Boiling and Freezing points.
************************************************************************
************************************************************************
Estimation of the Critical properties.
************************************************************************
************************************************************************
Estimation of the Thermodynamics properties
************************************************************************
Ideal gas thermal capacity for T= 298.15 [K] and p=1atm: 292.78 [J/(mol.K)]
Standard Error: Error was not estimated.
Joback fragmentation method
6.
*** Physical Property Report Generated By CS ChemProp ***
************************************************************************
Estimation of logarithm of Partition Coefficient [n-Octanol/Water] Log(p)
************************************************************************
Log(p)........:
St..deviation.:
2.94
0.47
Log(p)........:
St..deviation.:
2.89
0.49
3.22
0.57
************************************************************************
Estimation of Molar Refractivity
************************************************************************
MR............:
83.73 [cm.cm.cm/mol]
St..deviation.:
1.27
MR............:
81.50 [cm.cm.cm/mol]
St..deviation.:
0.77
************************************************************************
Estimation of Henry's Constant (H)
************************************************************************
************************************************************************
Estimation of the Boiling and Freezing points.
************************************************************************
************************************************************************
Estimation of the Critical properties.
************************************************************************
************************************************************************
Estimation of the Thermodynamics properties
************************************************************************
Ideal gas thermal capacity for T= 298.15 [K] and p=1atm: 313.61 [J/(mol.K)]
Standard Error: Error was not estimated.
Joback fragmentation method