Chemical Properties of Benzene-hexa-n-octanoate (CAS 65201-71-0)

Benzene-hexa-n-octanoate

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InChI
InChI=1S/C54H90O12/c1-7-13-19-25-31-37-43(55)61-49-50(62-44(56)38-32-26-20-14-8-2)52(64-46(58)40-34-28-22-16-10-4)54(66-48(60)42-36-30-24-18-12-6)53(65-47(59)41-35-29-23-17-11-5)51(49)63-45(57)39-33-27-21-15-9-3/h7-42H2,1-6H3
InChI Key
ZYULWONIYVWSQP-UHFFFAOYSA-N
Formula
C54H90O12
SMILES
CCCCCCCC(=O)Oc1c(OC(=O)CCCCCCC)c(OC(=O)CCCCCCC)c(OC(=O)CCCCCCC)c(OC(=O)CCCCCCC)c1OC(=O)CCCCCCC
Molecular Weight1
931.29
CAS
65201-71-0
Sources

Physical Properties

Property Value Unit Source
Δf -935.46 kJ/mol Joback Calculated Property
Δfgas -2447.51 kJ/mol Joback Calculated Property
Δfus 144.43 kJ/mol Joback Calculated Property
Δvap 196.32 kJ/mol Joback Calculated Property
logPoct/wat 15.28 Crippen Calculated Property
Pc 290.22 kPa Joback Calculated Property
solid,1 bar 1514.20 J/mol×K NIST
Tboil 1944.24 K Joback Calculated Property
Tc 5876.36 K Joback Calculated Property
Tfus 1220.32 K Joback Calculated Property
Vc 3.10 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 2548.54 J/mol×K 1944.24 Joback Calculated Property
Cp,solid 2131.30 J/mol×K 298.15 NIST
η 0.00 Pa×s 1944.24 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 6
=C< (ring) 6
-CH2- 36
>C=O (nonring) 6
-CH3 6

Similar Compounds

Benzene-hexa-n-heptanoate. Benzene-hexa-n-hexanoate. Sebacic acid, di(2,6-dimethoxyphenyl) ester. 1,2,4-Benzenetriol, tributyrate. Glutaric acid, di(2,6-dimethoxyphenyl) ester. Sebacic acid, 2,6-dimethoxyphenyl ethyl ester. Sebacic acid, 2,6-dimethoxyphenyl propyl ester. Sebacic acid, decyl 2,6-dimethoxyphenyl ester. Sebacic acid, butyl 2,6-dimethoxyphenyl ester. Sebacic acid, 2,6-dimethoxyphenyl pentyl ester. Sebacic acid, 2,6-dimethoxyphenyl octyl ester. Sebacic acid, 2,6-dimethoxyphenyl hexyl ester. Sebacic acid, 2,6-dimethoxyphenyl nonyl ester. Sebacic acid, 2,6-dimethoxyphenyl heptyl ester. Sebacic acid, 2,6-dimethoxyphenyl isobutyl ester.

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