- InChI
- InChI=1S/C13H18O2/c1-10(2)9-11(3)15-13(14)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
- InChI Key
- WMNCKJFVKMDUJQ-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- CC(C)CC(C)OC(=O)c1ccccc1
- Molecular Weight1
- 206.28
- 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 | 0.5651 | Relay (1.0) Calculated Property | |
| ΔfG° | -144.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.278 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2237.64 | kPa | Joback Calculated Property |
| Inp | 1460.00 | NIST | |
| Tboil | 527.43 | K | Relay (1.0) Calculated Property |
| Tc | 729.07 | K | Relay (1.0) Calculated Property |
| Tfus | 245.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.646 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.50; 525.35] | J/mol×K | [581.06; 789.99] | 
|
| Cp,gas | 438.50 | J/mol×K | 581.06 | Joback Calculated Property |
| Cp,gas | 455.43 | J/mol×K | 615.88 | Joback Calculated Property |
| Cp,gas | 471.35 | J/mol×K | 650.70 | Joback Calculated Property |
| Cp,gas | 486.27 | J/mol×K | 685.53 | Joback Calculated Property |
| Cp,gas | 500.23 | J/mol×K | 720.35 | Joback Calculated Property |
| Cp,gas | 513.24 | J/mol×K | 755.17 | Joback Calculated Property |
| Cp,gas | 525.35 | J/mol×K | 789.99 | Joback Calculated Property |
| η | [0.0001338; 0.0065686] | Pa×s | [275.02; 581.06] |
|
| η | 0.0065686 | Pa×s | 275.02 | Joback Calculated Property |
| η | 0.0020660 | Pa×s | 326.03 | Joback Calculated Property |
| η | 0.0008886 | Pa×s | 377.03 | Joback Calculated Property |
| η | 0.0004673 | Pa×s | 428.04 | Joback Calculated Property |
| η | 0.0002818 | Pa×s | 479.05 | Joback Calculated Property |
| η | 0.0001873 | Pa×s | 530.05 | Joback Calculated Property |
| η | 0.0001338 | Pa×s | 581.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-methylpent-2-yl ester.
Sources
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