- InChI
- InChI=1S/C25H42O2/c1-4-7-9-10-11-12-13-14-15-17-24(6-3)27-25(26)23-20-18-22(19-21-23)16-8-5-2/h18-21,24H,4-17H2,1-3H3
- InChI Key
- ODCXTOCTWDASFI-UHFFFAOYSA-N
- Formula
- C25H42O2
- SMILES
-
CCCCCCCCCCCC(CC)OC(=O)c1ccc(CC
CC)cc1 - Molecular Weight1
- 374.60
- 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° | 26.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.95 | kJ/mol | Joback Calculated Property |
| log10WS | -8.91 | Crippen Calculated Property | |
| logPoct/wat | 7.886 | Crippen Calculated Property | |
| McVol | 346.790 | ml/mol | McGowan Calculated Property |
| Pc | 947.91 | kPa | Joback Calculated Property |
| Inp | 2629.00 | NIST | |
| Tboil | 878.91 | K | Joback Calculated Property |
| Tc | 1078.47 | K | Joback Calculated Property |
| Tfus | 467.61 | K | Joback Calculated Property |
| Vc | 1.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1130.24; 1229.87] | J/mol×K | [878.91; 1078.47] | 
|
| Cp,gas | 1130.24 | J/mol×K | 878.91 | Joback Calculated Property |
| Cp,gas | 1149.81 | J/mol×K | 912.17 | Joback Calculated Property |
| Cp,gas | 1168.12 | J/mol×K | 945.43 | Joback Calculated Property |
| Cp,gas | 1185.24 | J/mol×K | 978.69 | Joback Calculated Property |
| Cp,gas | 1201.20 | J/mol×K | 1011.95 | Joback Calculated Property |
| Cp,gas | 1216.06 | J/mol×K | 1045.21 | Joback Calculated Property |
| Cp,gas | 1229.87 | J/mol×K | 1078.47 | Joback Calculated Property |
| η | [0.0000344; 0.0007290] | Pa×s | [467.61; 878.91] |
|
| η | 0.0007290 | Pa×s | 467.61 | Joback Calculated Property |
| η | 0.0003164 | Pa×s | 536.16 | Joback Calculated Property |
| η | 0.0001659 | Pa×s | 604.71 | Joback Calculated Property |
| η | 0.0000992 | Pa×s | 673.26 | Joback Calculated Property |
| η | 0.0000653 | Pa×s | 741.81 | Joback Calculated Property |
| η | 0.0000461 | Pa×s | 810.36 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 878.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, 3-tetradecyl ester.
Sources
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