- InChI
- InChI=1S/C17H26O2/c1-3-5-7-8-14-19-17(18)16-12-10-15(11-13-16)9-6-4-2/h10-13H,3-9,14H2,1-2H3
- InChI Key
- FSMGSEAKDZNSAS-UHFFFAOYSA-N
- Formula
- C17H26O2
- SMILES
- CCCCCCOC(=O)c1ccc(CCCC)cc1
- Molecular Weight1
- 262.39
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8236 | Relay (1.0) Calculated Property | |
| ΔfG° | -115.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.766 | Crippen Calculated Property | |
| McVol | 234.070 | ml/mol | McGowan Calculated Property |
| Pc | 1563.52 | kPa | Joback Calculated Property |
| Inp | [2009.50; 2009.50] |
|
|
| Inp | 2009.50 | NIST | |
| Inp | 2009.50 | NIST | |
| Tboil | 603.81 | K | Relay (1.0) Calculated Property |
| Tc | 793.83 | K | Relay (1.0) Calculated Property |
| Tfus | 248.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.887 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.81; 739.16] | J/mol×K | [678.44; 870.55] |
|
| Cp,gas | 647.81 | J/mol×K | 678.44 | Joback Calculated Property |
| Cp,gas | 665.42 | J/mol×K | 710.46 | Joback Calculated Property |
| Cp,gas | 682.05 | J/mol×K | 742.48 | Joback Calculated Property |
| Cp,gas | 697.71 | J/mol×K | 774.49 | Joback Calculated Property |
| Cp,gas | 712.43 | J/mol×K | 806.51 | Joback Calculated Property |
| Cp,gas | 726.23 | J/mol×K | 838.53 | Joback Calculated Property |
| Cp,gas | 739.16 | J/mol×K | 870.55 | Joback Calculated Property |
| η | [0.0000964; 0.0018068] | Pa×s | [362.62; 678.44] |
|
| η | 0.0018068 | Pa×s | 362.62 | Joback Calculated Property |
| η | 0.0008134 | Pa×s | 415.26 | Joback Calculated Property |
| η | 0.0004382 | Pa×s | 467.89 | Joback Calculated Property |
| η | 0.0002676 | Pa×s | 520.53 | Joback Calculated Property |
| η | 0.0001789 | Pa×s | 573.17 | Joback Calculated Property |
| η | 0.0001279 | Pa×s | 625.80 | Joback Calculated Property |
| η | 0.0000964 | Pa×s | 678.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, hexyl ester.
Sources
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