- InChI
- InChI=1S/C15H12O4/c16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
- InChI Key
- XIKIUQUXDNHBFR-UHFFFAOYSA-N
- Formula
- C15H12O4
- SMILES
- O=C(O)c1ccccc1C(=O)OCc1ccccc1
- Molecular Weight1
- 256.25
- CAS
- 2528-16-7
- Other Names
-
- Benzene-1,2-dicarboxylic acid, mono(phenylmethyl) ester
- Benzene-1,2-dicarboxylic acid, monobenzyl ester
- benzyl hydrogen phthalate
- 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° | -209.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -400.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.78 | kJ/mol | Joback Calculated Property |
| log10WS | -3.88 | Crippen Calculated Property | |
| logPoct/wat | 2.742 | Crippen Calculated Property | |
| McVol | 189.570 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Tboil | 823.28 | K | Joback Calculated Property |
| Tc | 1049.56 | K | Joback Calculated Property |
| Tfus | 507.08 | K | Joback Calculated Property |
| Vc | 0.709 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [527.41; 576.47] | J/mol×K | [823.28; 1049.56] | 
|
| Cp,gas | 527.41 | J/mol×K | 823.28 | Joback Calculated Property |
| Cp,gas | 537.81 | J/mol×K | 860.99 | Joback Calculated Property |
| Cp,gas | 547.27 | J/mol×K | 898.71 | Joback Calculated Property |
| Cp,gas | 555.82 | J/mol×K | 936.42 | Joback Calculated Property |
| Cp,gas | 563.51 | J/mol×K | 974.13 | Joback Calculated Property |
| Cp,gas | 570.38 | J/mol×K | 1011.85 | Joback Calculated Property |
| Cp,gas | 576.47 | J/mol×K | 1049.56 | Joback Calculated Property |
| η | [0.0000241; 0.0005269] | Pa×s | [507.08; 823.28] |
|
| η | 0.0005269 | Pa×s | 507.08 | Joback Calculated Property |
| η | 0.0002474 | Pa×s | 559.78 | Joback Calculated Property |
| η | 0.0001323 | Pa×s | 612.48 | Joback Calculated Property |
| η | 0.0000781 | Pa×s | 665.18 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 717.88 | Joback Calculated Property |
| η | 0.0000338 | Pa×s | 770.58 | Joback Calculated Property |
| η | 0.0000241 | Pa×s | 823.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Benzenedicarboxylic acid, mono(phenylmethyl) ester.
Sources
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