Chemical Properties of .alpha.-Benzylsuccinic acid

.alpha.-Benzylsuccinic acid

InChI
InChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
InChI Key
GTOFKXZQQDSVFH-UHFFFAOYSA-N
Formula
C11H12O4
SMILES
O=C(O)CC(Cc1ccccc1)C(=O)O
Molecular Weight1
208.21
Other Names
  • Benzenebutanoic acid, «beta»-carboxy-
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Physical Properties

Property Value Unit Source
ω 0.8524 Relay (1.0) Calculated Property
ΔfH°gas -683.64 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.05 kJ/mol Joback Calculated Property
ΔvapH° 114.08 kJ/mol Relay (1.0) Calculated Property
IE 9.02 eV Relay (1.0) Calculated Property
log10WS -1.84 Relay (1.0) Calculated Property
logPoct/wat 1.405 Crippen Calculated Property
McVol 156.970 ml/mol McGowan Calculated Property
Pc 3239.34 kPa Joback Calculated Property
Tboil 564.98 K Relay (1.0) Calculated Property
Tc 835.33 K Relay (1.0) Calculated Property
Tfus 382.27 K Relay (1.0) Calculated Property
Vc 0.553 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [440.16; 489.93] J/mol×K [768.54; 997.24] Show Hide
Cp,gas 440.16 J/mol×K 768.54 Joback Calculated Property
Cp,gas 450.18 J/mol×K 806.66 Joback Calculated Property
Cp,gas 459.43 J/mol×K 844.77 Joback Calculated Property
Cp,gas 467.96 J/mol×K 882.89 Joback Calculated Property
Cp,gas 475.84 J/mol×K 921.01 Joback Calculated Property
Cp,gas 483.14 J/mol×K 959.12 Joback Calculated Property
Cp,gas 489.93 J/mol×K 997.24 Joback Calculated Property
η [0.0001255; 0.0005996] Pa×s [546.35; 768.54] Show Hide
η 0.0005996 Pa×s 546.35 Joback Calculated Property
η 0.0004254 Pa×s 583.38 Joback Calculated Property
η 0.0003144 Pa×s 620.41 Joback Calculated Property
η 0.0002404 Pa×s 657.44 Joback Calculated Property
η 0.0001891 Pa×s 694.48 Joback Calculated Property
η 0.0001525 Pa×s 731.51 Joback Calculated Property
η 0.0001255 Pa×s 768.54 Joback Calculated Property

Similar Compounds

trans-2-Phenyl-1-cyclopropanecarboxylic acid. cis-1-Phenylcyclopropane-2-carboxylic acid. (3R,4R)-4-(3,4-Dimethoxybenzyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. 2(3H)-Furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-, (3R-trans)-. (3R)-trans-Dihydro-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone diTMS. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-((7-methoxybenzo[d][1,3]dioxol-5-yl)methyl)dihydrofuran-2(3H)-one. (3R,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. (3R,4R)-3-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one. Benzylmalic acid, TBDMS. (3R,4R)-3,4-bis(3,4,5-Trimethoxybenzyl)dihydrofuran-2(3H)-one. 2,3-Divanillyl-1,4-butanediol. (2R,3R)-2,3-Bis[(3-(acetyl)oxyphenyl)methyl]butane-1,4-diol, diacetate. (3R,4R)-3-((7-Methoxybenzo[d][1,3]dioxol-5-yl)methyl)-4-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one. (2R,3R)-2,3-bis(Benzo[d][1,3]dioxol-5-ylmethyl)butane-1,4-diol. Cyclopropanecarboxylic acid, trans-2-phenyl-, 4-chlorophenyl ester.

Find more compounds similar to .alpha.-Benzylsuccinic acid.

Sources

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