- InChI
- InChI=1S/C20H16O2/c21-20(18-14-8-3-9-15-18)22-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H
- InChI Key
- ZNRTVHASLDGVBC-UHFFFAOYSA-N
- Formula
- C20H16O2
- SMILES
-
O=C(OC(c1ccccc1)c1ccccc1)c1ccc
cc1 - Molecular Weight1
- 288.34
- 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).
- Inp : Non-polar retention indices.
- 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° | 218.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 3.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.71 | kJ/mol | Joback Calculated Property |
| log10WS | -5.50 | Crippen Calculated Property | |
| logPoct/wat | 4.633 | Crippen Calculated Property | |
| McVol | 228.820 | ml/mol | McGowan Calculated Property |
| Pc | 2287.14 | kPa | Joback Calculated Property |
| Inp | [2408.00; 2408.00] |
|
|
| Inp | 2408.00 | NIST | |
| Inp | 2408.00 | NIST | |
| Tboil | 812.89 | K | Joback Calculated Property |
| Tc | 1074.42 | K | Joback Calculated Property |
| Tfus | 451.58 | K | Joback Calculated Property |
| Vc | 0.850 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [646.88; 719.56] | J/mol×K | [812.89; 1074.42] |
|
| Cp,gas | 646.88 | J/mol×K | 812.89 | Joback Calculated Property |
| Cp,gas | 662.56 | J/mol×K | 856.48 | Joback Calculated Property |
| Cp,gas | 676.66 | J/mol×K | 900.07 | Joback Calculated Property |
| Cp,gas | 689.29 | J/mol×K | 943.65 | Joback Calculated Property |
| Cp,gas | 700.57 | J/mol×K | 987.24 | Joback Calculated Property |
| Cp,gas | 710.62 | J/mol×K | 1030.83 | Joback Calculated Property |
| Cp,gas | 719.56 | J/mol×K | 1074.42 | Joback Calculated Property |
| η | [0.0000705; 0.0010059] | Pa×s | [451.58; 812.89] |
|
| η | 0.0010059 | Pa×s | 451.58 | Joback Calculated Property |
| η | 0.0004978 | Pa×s | 511.80 | Joback Calculated Property |
| η | 0.0002857 | Pa×s | 572.02 | Joback Calculated Property |
| η | 0.0001822 | Pa×s | 632.24 | Joback Calculated Property |
| η | 0.0001257 | Pa×s | 692.45 | Joback Calculated Property |
| η | 0.0000920 | Pa×s | 752.67 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 812.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, diphenylmethyl ester.
Sources
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