- InChI
- InChI=1S/C26H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-23-28-26(27)25-21-19-24(20-22-25)18-6-4-2/h19-22H,3-18,23H2,1-2H3
- InChI Key
- BHJAAVUAXRALDM-UHFFFAOYSA-N
- Formula
- C26H44O2
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1ccc(CCC
C)cc1 - Molecular Weight1
- 388.64
- 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 | 1.1491 | Relay (1.0) Calculated Property | |
| ΔfG° | -39.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -669.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.277 | Crippen Calculated Property | |
| McVol | 360.880 | ml/mol | McGowan Calculated Property |
| Pc | 868.62 | kPa | Joback Calculated Property |
| Inp | 2846.90 | NIST | |
| Tboil | 667.69 | K | Relay (1.0) Calculated Property |
| Tc | 865.71 | K | Relay (1.0) Calculated Property |
| Tfus | 287.60 | K | Relay (1.0) Calculated Property |
| Vc | 1.384 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1183.57; 1284.15] | J/mol×K | [884.36; 1083.44] | 
|
| Cp,gas | 1183.57 | J/mol×K | 884.36 | Joback Calculated Property |
| Cp,gas | 1203.44 | J/mol×K | 917.54 | Joback Calculated Property |
| Cp,gas | 1221.99 | J/mol×K | 950.72 | Joback Calculated Property |
| Cp,gas | 1239.28 | J/mol×K | 983.90 | Joback Calculated Property |
| Cp,gas | 1255.37 | J/mol×K | 1017.08 | Joback Calculated Property |
| Cp,gas | 1270.31 | J/mol×K | 1050.26 | Joback Calculated Property |
| Cp,gas | 1284.15 | J/mol×K | 1083.44 | Joback Calculated Property |
| η | [0.0000284; 0.0007000] | Pa×s | [464.05; 884.36] |
|
| η | 0.0007000 | Pa×s | 464.05 | Joback Calculated Property |
| η | 0.0002890 | Pa×s | 534.10 | Joback Calculated Property |
| η | 0.0001465 | Pa×s | 604.15 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 674.20 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 744.26 | Joback Calculated Property |
| η | 0.0000385 | Pa×s | 814.31 | Joback Calculated Property |
| η | 0.0000284 | Pa×s | 884.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, pentadecyl ester.
Sources
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