- InChI
- InChI=1S/C14H20O2/c1-4-5-12(3)10-16-14(15)13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3
- InChI Key
- AEQFYDMELOAHTJ-UHFFFAOYSA-N
- Formula
- C14H20O2
- SMILES
- CCCC(C)COC(=O)c1ccc(C)cc1
- 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 | 0.6486 | Relay (... Calculated Property | |
| ΔfG° | -66.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.86 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.25 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -4.56 | Relay (... Calculated Property | |
| logPoct/wat | 3.588 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2081.22 | kPa | Joback Calculated Property |
| Inp | 1691.00 | NIST | |
| Tboil | 569.53 | K | Relay (... Calculated Property |
| Tc | 750.46 | K | Relay (... Calculated Property |
| Tfus | 249.98 | K | Relay (... Calculated Property |
| Vc | 0.695 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.28; 579.84] | J/mol×K | [627.23; 832.03] | 
|
| Cp,gas | 494.28 | J/mol×K | 627.23 | Joback Calculated Property |
| Cp,gas | 510.76 | J/mol×K | 661.36 | Joback Calculated Property |
| Cp,gas | 526.32 | J/mol×K | 695.50 | Joback Calculated Property |
| Cp,gas | 540.99 | J/mol×K | 729.63 | Joback Calculated Property |
| Cp,gas | 554.78 | J/mol×K | 763.76 | Joback Calculated Property |
| Cp,gas | 567.73 | J/mol×K | 797.90 | Joback Calculated Property |
| Cp,gas | 579.84 | J/mol×K | 832.03 | Joback Calculated Property |
| η | [0.0001394; 0.0019801] | Pa×s | [343.64; 627.23] |
|
| η | 0.0019801 | Pa×s | 343.64 | Joback Calculated Property |
| η | 0.0009738 | Pa×s | 390.90 | Joback Calculated Property |
| η | 0.0005582 | Pa×s | 438.17 | Joback Calculated Property |
| η | 0.0003565 | Pa×s | 485.44 | Joback Calculated Property |
| η | 0.0002466 | Pa×s | 532.70 | Joback Calculated Property |
| η | 0.0001811 | Pa×s | 579.97 | Joback Calculated Property |
| η | 0.0001394 | Pa×s | 627.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methylbenzoic acid, 2-methylpentyl ester.
Sources
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