- InChI
- InChI=1S/C10H10O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)
- InChI Key
- JAEJSNFTJMYIEF-UHFFFAOYSA-N
- Formula
- C10H10O4
- SMILES
- O=C(O)C(Cc1ccccc1)C(=O)O
- Molecular Weight1
- 194.18
- CAS
- 616-75-1
- Other Names
-
- Propanedioic acid, (phenylmethyl)-
- Malonic acid, benzyl-
- Malonic acid, 2-benzyl-
- USAF XR-36
- 1,1-Ethanedicarboxylic acid, 2-phenyl-
- 2-Benzylmalonic acid
- NSC 8068
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -388.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -548.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.59 | kJ/mol | Joback Calculated Property |
| log10WS | -1.07 | Crippen Calculated Property | |
| logPoct/wat | 1.014 | Crippen Calculated Property | |
| McVol | 142.880 | ml/mol | McGowan 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 | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [383.78; 424.64] | J/mol×K | [746.54; 946.57] | 
|
| Cp,gas | 383.78 | J/mol×K | 746.54 | Joback Calculated Property |
| Cp,gas | 391.95 | J/mol×K | 779.88 | Joback Calculated Property |
| Cp,gas | 399.54 | J/mol×K | 813.22 | Joback Calculated Property |
| Cp,gas | 406.58 | J/mol×K | 846.55 | Joback Calculated Property |
| Cp,gas | 413.09 | J/mol×K | 879.89 | Joback Calculated Property |
| Cp,gas | 419.10 | J/mol×K | 913.23 | Joback Calculated Property |
| Cp,gas | 424.64 | J/mol×K | 946.57 | Joback Calculated Property |
| η | [0.0000121; 0.0018592] | Pa×s | [435.38; 746.54] |
|
| η | 0.0018592 | Pa×s | 435.38 | Joback Calculated Property |
| η | 0.0005145 | Pa×s | 487.24 | Joback Calculated Property |
| η | 0.0001823 | Pa×s | 539.10 | Joback Calculated Property |
| η | 0.0000775 | Pa×s | 590.96 | Joback Calculated Property |
| η | 0.0000378 | Pa×s | 642.82 | Joback Calculated Property |
| η | 0.0000205 | Pa×s | 694.68 | Joback Calculated Property |
| η | 0.0000121 | Pa×s | 746.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzylmalonic acid.
Sources
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