- InChI
- InChI=1S/C16H16O2/c1-2-8-13-9-6-7-12-15(13)18-16(17)14-10-4-3-5-11-14/h3-7,9-12H,2,8H2,1H3
- InChI Key
- CRSWHYNIHIEOID-UHFFFAOYSA-N
- Formula
- C16H16O2
- SMILES
- CCCc1ccccc1OC(=O)c1ccccc1
- Molecular Weight1
- 240.30
- 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° | 65.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.58 | kJ/mol | Joback Calculated Property |
| log10WS | -4.78 | Crippen Calculated Property | |
| logPoct/wat | 3.858 | Crippen Calculated Property | |
| McVol | 196.220 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | [1897.00; 1898.00] |
|
|
| Inp | 1898.00 | NIST | |
| Inp | 1897.00 | NIST | |
| Inp | 1898.00 | NIST | |
| Tboil | 700.11 | K | Joback Calculated Property |
| Tc | 933.89 | K | Joback Calculated Property |
| Tfus | 407.60 | K | Joback Calculated Property |
| Vc | 0.740 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [517.98; 596.69] | J/mol×K | [700.11; 933.89] |
|
| Cp,gas | 517.98 | J/mol×K | 700.11 | Joback Calculated Property |
| Cp,gas | 533.95 | J/mol×K | 739.07 | Joback Calculated Property |
| Cp,gas | 548.72 | J/mol×K | 778.04 | Joback Calculated Property |
| Cp,gas | 562.33 | J/mol×K | 817.00 | Joback Calculated Property |
| Cp,gas | 574.82 | J/mol×K | 855.96 | Joback Calculated Property |
| Cp,gas | 586.26 | J/mol×K | 894.92 | Joback Calculated Property |
| Cp,gas | 596.69 | J/mol×K | 933.89 | Joback Calculated Property |
| η | [0.0001220; 0.0011644] | Pa×s | [407.60; 700.11] |
|
| η | 0.0011644 | Pa×s | 407.60 | Joback Calculated Property |
| η | 0.0006540 | Pa×s | 456.35 | Joback Calculated Property |
| η | 0.0004106 | Pa×s | 505.10 | Joback Calculated Property |
| η | 0.0002798 | Pa×s | 553.86 | Joback Calculated Property |
| η | 0.0002029 | Pa×s | 602.61 | Joback Calculated Property |
| η | 0.0001544 | Pa×s | 651.36 | Joback Calculated Property |
| η | 0.0001220 | Pa×s | 700.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-propylphenyl ester.
Sources
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