- InChI
- InChI=1S/C16H16O2/c1-3-13-7-5-9-15(11-13)18-16(17)14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3
- InChI Key
- IDBWEZVXLJLXGY-UHFFFAOYSA-N
- Formula
- C16H16O2
- SMILES
- CCc1cccc(OC(=O)c2cccc(C)c2)c1
- Molecular Weight1
- 240.30
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6743 | Relay (1.0) Calculated Property | |
| ΔfG° | -20.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.777 | Crippen Calculated Property | |
| McVol | 196.220 | ml/mol | McGowan Calculated Property |
| Pc | 2231.30 | kPa | Joback Calculated Property |
| Inp | 2038.00 | NIST | |
| Tboil | 607.83 | K | Relay (1.0) Calculated Property |
| Tc | 853.55 | K | Relay (1.0) Calculated Property |
| Tfus | 285.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.724 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [512.59; 591.63] | J/mol×K | [687.22; 920.16] | 
|
| Cp,gas | 512.59 | J/mol×K | 687.22 | Joback Calculated Property |
| Cp,gas | 528.73 | J/mol×K | 726.04 | Joback Calculated Property |
| Cp,gas | 543.62 | J/mol×K | 764.87 | Joback Calculated Property |
| Cp,gas | 557.31 | J/mol×K | 803.69 | Joback Calculated Property |
| Cp,gas | 569.85 | J/mol×K | 842.52 | Joback Calculated Property |
| Cp,gas | 581.27 | J/mol×K | 881.34 | Joback Calculated Property |
| Cp,gas | 591.63 | J/mol×K | 920.16 | Joback Calculated Property |
| η | [0.0001082; 0.0011964] | Pa×s | [390.29; 687.22] |
|
| η | 0.0011964 | Pa×s | 390.29 | Joback Calculated Property |
| η | 0.0006397 | Pa×s | 439.78 | Joback Calculated Property |
| η | 0.0003883 | Pa×s | 489.27 | Joback Calculated Property |
| η | 0.0002583 | Pa×s | 538.75 | Joback Calculated Property |
| η | 0.0001840 | Pa×s | 588.24 | Joback Calculated Property |
| η | 0.0001382 | Pa×s | 637.73 | Joback Calculated Property |
| η | 0.0001082 | Pa×s | 687.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methyl-, 3-ethylphenyl ester.
Sources
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