- InChI
- InChI=1S/C16H24O2/c1-5-6-7-14-8-10-15(11-9-14)16(17)18-13(4)12(2)3/h8-13H,5-7H2,1-4H3
- InChI Key
- JITREAXBTOGWSV-UHFFFAOYSA-N
- Formula
- C16H24O2
- SMILES
- CCCCc1ccc(C(=O)OC(C)C(C)C)cc1
- Molecular Weight1
- 248.36
- 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° | -52.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -403.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.53 | kJ/mol | Joback Calculated Property |
| log10WS | -4.90 | Crippen Calculated Property | |
| logPoct/wat | 4.231 | Crippen Calculated Property | |
| McVol | 219.980 | ml/mol | McGowan Calculated Property |
| Pc | 1771.36 | kPa | Joback Calculated Property |
| Inp | 1842.00 | NIST | |
| Tboil | 672.55 | K | Joback Calculated Property |
| Tc | 875.45 | K | Joback Calculated Property |
| Tfus | 351.18 | K | Joback Calculated Property |
| Vc | 0.836 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [600.65; 691.90] | J/mol×K | [672.55; 875.45] | 
|
| Cp,gas | 600.65 | J/mol×K | 672.55 | Joback Calculated Property |
| Cp,gas | 618.31 | J/mol×K | 706.37 | Joback Calculated Property |
| Cp,gas | 634.95 | J/mol×K | 740.18 | Joback Calculated Property |
| Cp,gas | 650.60 | J/mol×K | 774.00 | Joback Calculated Property |
| Cp,gas | 665.29 | J/mol×K | 807.82 | Joback Calculated Property |
| Cp,gas | 679.05 | J/mol×K | 841.64 | Joback Calculated Property |
| Cp,gas | 691.90 | J/mol×K | 875.45 | Joback Calculated Property |
| η | [0.0001040; 0.0022010] | Pa×s | [351.18; 672.55] |
|
| η | 0.0022010 | Pa×s | 351.18 | Joback Calculated Property |
| η | 0.0009452 | Pa×s | 404.74 | Joback Calculated Property |
| η | 0.0004946 | Pa×s | 458.30 | Joback Calculated Property |
| η | 0.0002964 | Pa×s | 511.87 | Joback Calculated Property |
| η | 0.0001957 | Pa×s | 565.43 | Joback Calculated Property |
| η | 0.0001388 | Pa×s | 618.99 | Joback Calculated Property |
| η | 0.0001040 | Pa×s | 672.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 3-methylbut-2-yl ester.
Sources
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