- InChI
- InChI=1S/C14H20O2/c1-10(2)13(11(3)4)16-14(15)12-8-6-5-7-9-12/h5-11,13H,1-4H3
- InChI Key
- JFKMQMIUVLJEOK-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- CC(C)C(OC(=O)c1ccccc1)C(C)C
- Molecular Weight1
- 220.31
- 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 | 0.5748 | Relay (1.0) Calculated Property | |
| ΔfG° | -138.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -397.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.88 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.05 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.524 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2062.36 | kPa | Joback Calculated Property |
| Inp | [1577.00; 1577.00] |
|
|
| Inp | 1577.00 | NIST | |
| Inp | 1577.00 | NIST | |
| Tboil | 548.51 | K | Relay (1.0) Calculated Property |
| Tc | 746.43 | K | Relay (1.0) Calculated Property |
| Tfus | 271.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.683 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [489.37; 580.49] | J/mol×K | [603.50; 813.34] |
|
| Cp,gas | 489.37 | J/mol×K | 603.50 | Joback Calculated Property |
| Cp,gas | 507.20 | J/mol×K | 638.47 | Joback Calculated Property |
| Cp,gas | 523.94 | J/mol×K | 673.45 | Joback Calculated Property |
| Cp,gas | 539.60 | J/mol×K | 708.42 | Joback Calculated Property |
| Cp,gas | 554.23 | J/mol×K | 743.39 | Joback Calculated Property |
| Cp,gas | 567.85 | J/mol×K | 778.36 | Joback Calculated Property |
| Cp,gas | 580.49 | J/mol×K | 813.34 | Joback Calculated Property |
| η | [0.0001119; 0.0090541] | Pa×s | [271.29; 603.50] |
|
| η | 0.0090541 | Pa×s | 271.29 | Joback Calculated Property |
| η | 0.0023405 | Pa×s | 326.66 | Joback Calculated Property |
| η | 0.0008955 | Pa×s | 382.03 | Joback Calculated Property |
| η | 0.0004370 | Pa×s | 437.39 | Joback Calculated Property |
| η | 0.0002506 | Pa×s | 492.76 | Joback Calculated Property |
| η | 0.0001607 | Pa×s | 548.13 | Joback Calculated Property |
| η | 0.0001119 | Pa×s | 603.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2,4-dimethylpent-3-yl ester.
Sources
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