Chemical Properties of Butanedioic acid, phenylmethyl propyl ester (CAS 119450-12-3)

Butanedioic acid, phenylmethyl propyl ester

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InChI
InChI=1S/C14H18O4/c1-2-10-17-13(15)8-9-14(16)18-11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChI Key
LQITZYVBKYLNJM-UHFFFAOYSA-N
Formula
C14H18O4
SMILES
CCCOC(=O)CCC(=O)OCc1ccccc1
Molecular Weight1
250.29
CAS
119450-12-3
Other Names
  • Propyl benzyl succinate
Sources

Physical Properties

Property Value Unit Source
Δf -288.43 kJ/mol Joback Calculated Property
Δfgas -585.36 kJ/mol Joback Calculated Property
Δfus 31.63 kJ/mol Joback Calculated Property
Δvap 67.35 kJ/mol Joback Calculated Property
logPoct/wat 2.46 Crippen Calculated Property
Pc 2185.64 kPa Joback Calculated Property
Tboil 698.98 K Joback Calculated Property
Tc 904.10 K Joback Calculated Property
Tfus 418.28 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 540.84 J/mol×K 698.98 Joback Calculated Property
η 0.00 Pa×s 698.98 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 5
=C< (ring) 1
-CH2- 5
-CH3 1

Similar Compounds

Butanedioic acid, butyl phenylmethyl ester. Butanedioic acid, ethyl phenylmethyl ester. Butanedioic acid, pentyl phenylmethyl ester. Succinic acid, 4-methylbenzyl propyl ester. Butanedioic acid, hexyl phenylmethyl ester. Butanedioic acid, nonyl phenylmethyl ester. Butanedioic acid, heptyl phenylmethyl ester. Butanedioic acid, octyl phenylmethyl ester. Butanedioic acid, decyl phenylmethyl ester. Succinic acid, butyl 4-methylbenzyl ester. Succinic acid, ethyl 4-methylbenzyl ester. Succinic acid, 4-methylbenzyl pentyl ester. Succinate, dibenzyl. Butanedioic acid, methyl phenylmethyl ester. Succinic acid, hexyl 4-methylbenzyl ester.

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