- InChI
- InChI=1S/C12H16O2/c1-3-4-5-10-6-8-11(9-7-10)12(13)14-2/h6-9H,3-5H2,1-2H3
- InChI Key
- XJRYQLPELPLPHZ-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- CCCCc1ccc(C(=O)OC)cc1
- Molecular Weight1
- 192.26
- Other Names
-
- 4-Butylbenzoic acid, methyl ester
- methyl 4-butylbenzoate
- 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).
- 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 | 0.6093 | Relay (1.0) Calculated Property | |
| ΔfG° | -157.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -365.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.816 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2381.86 | kPa | Joback Calculated Property |
| Tboil | 537.54 | K | Relay (1.0) Calculated Property |
| Tc | 734.08 | K | Relay (1.0) Calculated Property |
| Tfus | 263.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.607 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [388.85; 468.04] | J/mol×K | [564.04; 768.65] | 
|
| Cp,gas | 388.85 | J/mol×K | 564.04 | Joback Calculated Property |
| Cp,gas | 404.10 | J/mol×K | 598.14 | Joback Calculated Property |
| Cp,gas | 418.51 | J/mol×K | 632.24 | Joback Calculated Property |
| Cp,gas | 432.09 | J/mol×K | 666.35 | Joback Calculated Property |
| Cp,gas | 444.86 | J/mol×K | 700.45 | Joback Calculated Property |
| Cp,gas | 456.84 | J/mol×K | 734.55 | Joback Calculated Property |
| Cp,gas | 468.04 | J/mol×K | 768.65 | Joback Calculated Property |
| η | [0.0001641; 0.0024516] | Pa×s | [306.27; 564.04] |
|
| η | 0.0024516 | Pa×s | 306.27 | Joback Calculated Property |
| η | 0.0011839 | Pa×s | 349.23 | Joback Calculated Property |
| η | 0.0006706 | Pa×s | 392.19 | Joback Calculated Property |
| η | 0.0004249 | Pa×s | 435.15 | Joback Calculated Property |
| η | 0.0002923 | Pa×s | 478.12 | Joback Calculated Property |
| η | 0.0002138 | Pa×s | 521.08 | Joback Calculated Property |
| η | 0.0001641 | Pa×s | 564.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, methyl ester.
Sources
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