- InChI
- InChI=1S/C17H26O2/c1-4-6-8-15-9-11-16(12-10-15)17(18)19-13-14(3)7-5-2/h9-12,14H,4-8,13H2,1-3H3
- InChI Key
- FAXLCUOSVAHYMS-UHFFFAOYSA-N
- Formula
- C17H26O2
- SMILES
- CCCCc1ccc(C(=O)OCC(C)CCC)cc1
- Molecular Weight1
- 262.39
- 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° | -41.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -419.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.14 | kJ/mol | Joback Calculated Property |
| log10WS | -5.21 | Crippen Calculated Property | |
| logPoct/wat | 4.622 | Crippen Calculated Property | |
| McVol | 234.070 | ml/mol | McGowan Calculated Property |
| Pc | 1625.91 | kPa | Joback Calculated Property |
| Inp | 2009.00 | NIST | |
| Tboil | 695.87 | K | Joback Calculated Property |
| Tc | 893.18 | K | Joback Calculated Property |
| Tfus | 377.45 | K | Joback Calculated Property |
| Vc | 0.897 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.09; 746.60] | J/mol×K | [695.87; 893.18] | 
|
| Cp,gas | 655.09 | J/mol×K | 695.87 | Joback Calculated Property |
| Cp,gas | 672.74 | J/mol×K | 728.76 | Joback Calculated Property |
| Cp,gas | 689.39 | J/mol×K | 761.64 | Joback Calculated Property |
| Cp,gas | 705.08 | J/mol×K | 794.53 | Joback Calculated Property |
| Cp,gas | 719.83 | J/mol×K | 827.41 | Joback Calculated Property |
| Cp,gas | 733.66 | J/mol×K | 860.30 | Joback Calculated Property |
| Cp,gas | 746.60 | J/mol×K | 893.18 | Joback Calculated Property |
| η | [0.0000999; 0.0016219] | Pa×s | [377.45; 695.87] |
|
| η | 0.0016219 | Pa×s | 377.45 | Joback Calculated Property |
| η | 0.0007654 | Pa×s | 430.52 | Joback Calculated Property |
| η | 0.0004259 | Pa×s | 483.59 | Joback Calculated Property |
| η | 0.0002661 | Pa×s | 536.66 | Joback Calculated Property |
| η | 0.0001810 | Pa×s | 589.73 | Joback Calculated Property |
| η | 0.0001312 | Pa×s | 642.80 | Joback Calculated Property |
| η | 0.0000999 | Pa×s | 695.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 2-methylpentyl ester.
Sources
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