- 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
- 192.25
- CAS
- 20651-69-8
- Other Names
-
- 4-Butylbenzoic acid, methyl ester
- methyl 4-butylbenzoate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -80.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -310.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.40 | kJ/mol | Joback Calculated Property |
| log10WS | -3.35 | Crippen Calculated Property | |
| logPoct/wat | 2.816 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2480.12 | kPa | Joback Calculated Property |
| Inp | 1543.00 | NIST | |
| Tboil | 581.91 | K | Joback Calculated Property |
| Tc | 788.90 | K | Joback Calculated Property |
| Tfus | 336.10 | K | Joback Calculated Property |
| Vc | 0.624 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.77; 471.60] | J/mol×K | [581.91; 788.90] | 
|
| Cp,gas | 393.77 | J/mol×K | 581.91 | Joback Calculated Property |
| Cp,gas | 408.69 | J/mol×K | 616.41 | Joback Calculated Property |
| Cp,gas | 422.81 | J/mol×K | 650.91 | Joback Calculated Property |
| Cp,gas | 436.14 | J/mol×K | 685.41 | Joback Calculated Property |
| Cp,gas | 448.71 | J/mol×K | 719.90 | Joback Calculated Property |
| Cp,gas | 460.52 | J/mol×K | 754.40 | Joback Calculated Property |
| Cp,gas | 471.60 | J/mol×K | 788.90 | Joback Calculated Property |
| η | [0.0001803; 0.0017122] | Pa×s | [336.10; 581.91] |
|
| η | 0.0017122 | Pa×s | 336.10 | Joback Calculated Property |
| η | 0.0009597 | Pa×s | 377.07 | Joback Calculated Property |
| η | 0.0006026 | Pa×s | 418.04 | Joback Calculated Property |
| η | 0.0004111 | Pa×s | 459.00 | Joback Calculated Property |
| η | 0.0002986 | Pa×s | 499.97 | Joback Calculated Property |
| η | 0.0002277 | Pa×s | 540.94 | Joback Calculated Property |
| η | 0.0001803 | Pa×s | 581.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-butyl-, methyl ester.
Sources
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