- InChI
- InChI=1S/C25H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-22-27-25(26)24-20-18-23(19-21-24)17-6-4-2/h18-21H,3-17,22H2,1-2H3
- InChI Key
- KTDIJHFLBJNYQD-UHFFFAOYSA-N
- Formula
- C25H42O2
- SMILES
-
CCCCCCCCCCCCCCOC(=O)c1ccc(CCCC
)cc1 - Molecular Weight1
- 374.61
- 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 | 1.1138 | Relay (1.0) Calculated Property | |
| ΔfG° | -47.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -648.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.887 | Crippen Calculated Property | |
| McVol | 346.790 | ml/mol | McGowan Calculated Property |
| Pc | 919.95 | kPa | Joback Calculated Property |
| Inp | 2754.70 | NIST | |
| Tboil | 661.19 | K | Relay (1.0) Calculated Property |
| Tc | 859.02 | K | Relay (1.0) Calculated Property |
| Tfus | 284.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.329 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1120.92; 1220.44] | J/mol×K | [861.48; 1057.02] | 
|
| Cp,gas | 1120.92 | J/mol×K | 861.48 | Joback Calculated Property |
| Cp,gas | 1140.48 | J/mol×K | 894.07 | Joback Calculated Property |
| Cp,gas | 1158.78 | J/mol×K | 926.66 | Joback Calculated Property |
| Cp,gas | 1175.88 | J/mol×K | 959.25 | Joback Calculated Property |
| Cp,gas | 1191.83 | J/mol×K | 991.84 | Joback Calculated Property |
| Cp,gas | 1206.66 | J/mol×K | 1024.43 | Joback Calculated Property |
| Cp,gas | 1220.44 | J/mol×K | 1057.02 | Joback Calculated Property |
| η | [0.0000328; 0.0007910] | Pa×s | [452.78; 861.48] |
|
| η | 0.0007910 | Pa×s | 452.78 | Joback Calculated Property |
| η | 0.0003291 | Pa×s | 520.90 | Joback Calculated Property |
| η | 0.0001677 | Pa×s | 589.01 | Joback Calculated Property |
| η | 0.0000983 | Pa×s | 657.13 | Joback Calculated Property |
| η | 0.0000637 | Pa×s | 725.25 | Joback Calculated Property |
| η | 0.0000445 | Pa×s | 793.36 | Joback Calculated Property |
| η | 0.0000328 | Pa×s | 861.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, tetradecyl ester.
Sources
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