- InChI
- InChI=1S/C17H26O3/c1-4-5-6-15-7-9-16(10-8-15)17(18)20-13-14(2)11-12-19-3/h7-10,14H,4-6,11-13H2,1-3H3
- InChI Key
- MAPCYJGHNRLAOA-UHFFFAOYSA-N
- Formula
- C17H26O3
- SMILES
- CCCCc1ccc(C(=O)OCC(C)CCOC)cc1
- Molecular Weight1
- 278.39
- 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° | -146.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.55 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 3.859 | Crippen Calculated Property | |
| McVol | 239.940 | ml/mol | McGowan Calculated Property |
| Pc | 1603.85 | kPa | Joback Calculated Property |
| Inp | 2139.00 | NIST | |
| Tboil | 718.29 | K | Joback Calculated Property |
| Tc | 914.63 | K | Joback Calculated Property |
| Tfus | 399.68 | K | Joback Calculated Property |
| Vc | 0.915 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.29; 773.21] | J/mol×K | [718.29; 914.63] | 
|
| Cp,gas | 684.29 | J/mol×K | 718.29 | Joback Calculated Property |
| Cp,gas | 701.55 | J/mol×K | 751.01 | Joback Calculated Property |
| Cp,gas | 717.81 | J/mol×K | 783.74 | Joback Calculated Property |
| Cp,gas | 733.09 | J/mol×K | 816.46 | Joback Calculated Property |
| Cp,gas | 747.40 | J/mol×K | 849.18 | Joback Calculated Property |
| Cp,gas | 760.77 | J/mol×K | 881.91 | Joback Calculated Property |
| Cp,gas | 773.21 | J/mol×K | 914.63 | Joback Calculated Property |
| η | [0.0000770; 0.0011313] | Pa×s | [399.68; 718.29] |
|
| η | 0.0011313 | Pa×s | 399.68 | Joback Calculated Property |
| η | 0.0005559 | Pa×s | 452.78 | Joback Calculated Property |
| η | 0.0003171 | Pa×s | 505.88 | Joback Calculated Property |
| η | 0.0002012 | Pa×s | 558.99 | Joback Calculated Property |
| η | 0.0001382 | Pa×s | 612.09 | Joback Calculated Property |
| η | 0.0001008 | Pa×s | 665.19 | Joback Calculated Property |
| η | 0.0000770 | Pa×s | 718.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 4-methoxy-2-methylbutyl ester.
Sources
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