- 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° | 55.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.56 | 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 | 2320.31 | kPa | Joback Calculated Property |
| Inp | 2038.00 | NIST | |
| Tboil | 607.83 | K | Relay (1.0) Calculated Property |
| Tc | 852.05 | K | Relay (1.0) Calculated Property |
| Tfus | 291.38 | 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 | [517.05; 595.10] | J/mol×K | [705.09; 939.69] | 
|
| Cp,gas | 517.05 | J/mol×K | 705.09 | Joback Calculated Property |
| Cp,gas | 532.86 | J/mol×K | 744.19 | Joback Calculated Property |
| Cp,gas | 547.49 | J/mol×K | 783.29 | Joback Calculated Property |
| Cp,gas | 560.99 | J/mol×K | 822.39 | Joback Calculated Property |
| Cp,gas | 573.40 | J/mol×K | 861.49 | Joback Calculated Property |
| Cp,gas | 584.75 | J/mol×K | 900.59 | Joback Calculated Property |
| Cp,gas | 595.10 | J/mol×K | 939.69 | Joback Calculated Property |
| η | [0.0001219; 0.0009640] | Pa×s | [420.12; 705.09] |
|
| η | 0.0009640 | Pa×s | 420.12 | Joback Calculated Property |
| η | 0.0005733 | Pa×s | 467.62 | Joback Calculated Property |
| η | 0.0003752 | Pa×s | 515.11 | Joback Calculated Property |
| η | 0.0002638 | Pa×s | 562.61 | Joback Calculated Property |
| η | 0.0001959 | Pa×s | 610.10 | Joback Calculated Property |
| η | 0.0001519 | Pa×s | 657.59 | Joback Calculated Property |
| η | 0.0001219 | Pa×s | 705.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methyl-, 3-ethylphenyl ester.
Sources
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