Chemical Properties of Butanedioic acid, phenyl- (CAS 635-51-8)

Butanedioic acid, phenyl-

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InChI
InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)
InChI Key
LVFFZQQWIZURIO-UHFFFAOYSA-N
Formula
C10H10O4
SMILES
O=C(O)CC(C(=O)O)c1ccccc1
Molecular Weight1
194.18
CAS
635-51-8
Other Names
  • 2-Phenylsuccinic acid
  • Phenylsuccinic acid
  • Succinic acid, phenyl-
  • dl-Phenylsuccinic acid
  • «alpha»-Phenylsuccinic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4523.30 ± 2.30 kJ/mol NIST
Δf -388.19 kJ/mol Joback Calculated Property
Δfgas -548.10 kJ/mol Joback Calculated Property
Δfus 23.55 kJ/mol Joback Calculated Property
Δvap 86.59 kJ/mol Joback Calculated Property
logPoct/wat 1.33 Crippen Calculated Property
Pc 4277.45 kPa Joback Calculated Property
Tboil 746.54 K Joback Calculated Property
Tc 946.57 K Joback Calculated Property
Tfus 435.38 K Joback Calculated Property
Vc 0.53 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 383.78 J/mol×K 746.54 Joback Calculated Property
η 0.00 Pa×s 746.54 Joback Calculated Property
ΔfusH 37.37 kJ/mol 440.1 NIST

Molecular Descriptors

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

Similar Compounds

(R*,S*)-2,3-diphenylsuccinic acid. Butanedioic acid, 2,3-diphenyl-. Benzeneacetic acid, .alpha.-ethyl-. Monophenyl succinic anhydride. Benzeneacetic acid, .alpha.-ethyl-, methyl ester. Benzeneacetic acid, «alpha»-ethyl-, ethyl ester. Butyric acid, 2-phenyl-, butyl ester. 3-Phenylbutyric acid. Butyric acid, 2-phenyl-, isopropyl ester. 2-(p-Chlorophenyl)-3-methylbutyric acid. Butyric acid, 2-phenyl-, pentyl ester. Butyric acid, 2-phenyl-, isobutyl ester. Butyric acid, 2-phenyl-, hexadecyl ester. Butyric acid, 2-phenyl-, tetradecyl ester. Butyric acid, 2-phenyl-, octyl ester.

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