- InChI
- InChI=1S/C15H14O4/c1-17-12-9-6-10-13(18-2)14(12)19-15(16)11-7-4-3-5-8-11/h3-10H,1-2H3
- InChI Key
- SVMPWMYCQQADHO-UHFFFAOYSA-N
- Formula
- C15H14O4
- SMILES
- COc1cccc(OC)c1OC(=O)c1ccccc1
- Molecular Weight1
- 258.27
- 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° | -162.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.80 | Crippen Calculated Property | |
| logPoct/wat | 2.923 | Crippen Calculated Property | |
| McVol | 193.870 | ml/mol | McGowan Calculated Property |
| Pc | 2465.36 | kPa | Joback Calculated Property |
| Inp | [2096.00; 2096.00] |
|
|
| Inp | 2096.00 | NIST | |
| Inp | 2096.00 | NIST | |
| Tboil | 727.05 | K | Joback Calculated Property |
| Tc | 959.54 | K | Joback Calculated Property |
| Tfus | 453.31 | K | Joback Calculated Property |
| Vc | 0.720 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.43; 586.59] | J/mol×K | [727.05; 959.54] |
|
| Cp,gas | 516.43 | J/mol×K | 727.05 | Joback Calculated Property |
| Cp,gas | 530.98 | J/mol×K | 765.80 | Joback Calculated Property |
| Cp,gas | 544.39 | J/mol×K | 804.55 | Joback Calculated Property |
| Cp,gas | 556.66 | J/mol×K | 843.29 | Joback Calculated Property |
| Cp,gas | 567.78 | J/mol×K | 882.04 | Joback Calculated Property |
| Cp,gas | 577.76 | J/mol×K | 920.79 | Joback Calculated Property |
| Cp,gas | 586.59 | J/mol×K | 959.54 | Joback Calculated Property |
| η | [0.0000828; 0.0005592] | Pa×s | [453.31; 727.05] |
|
| η | 0.0005592 | Pa×s | 453.31 | Joback Calculated Property |
| η | 0.0003516 | Pa×s | 498.93 | Joback Calculated Property |
| η | 0.0002390 | Pa×s | 544.56 | Joback Calculated Property |
| η | 0.0001724 | Pa×s | 590.18 | Joback Calculated Property |
| η | 0.0001304 | Pa×s | 635.80 | Joback Calculated Property |
| η | 0.0001023 | Pa×s | 681.43 | Joback Calculated Property |
| η | 0.0000828 | Pa×s | 727.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,6-dimethoxyphenyl ester.
Sources
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