- InChI
- InChI=1S/C29H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-31-29(30)28-24-22-27(23-25-28)21-6-4-2/h22-25H,3-21,26H2,1-2H3
- InChI Key
- PKAPDTSUVWQODK-UHFFFAOYSA-N
- Formula
- C29H50O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(
CCCC)cc1 - Molecular Weight1
- 430.71
- 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° | 62.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.24 | kJ/mol | Joback Calculated Property |
| log10WS | -10.47 | Crippen Calculated Property | |
| logPoct/wat | 9.447 | Crippen Calculated Property | |
| McVol | 403.150 | ml/mol | McGowan Calculated Property |
| Pc | 754.74 | kPa | Joback Calculated Property |
| Inp | [3232.90; 3232.90] |
|
|
| Inp | 3232.90 | NIST | |
| Inp | 3232.90 | NIST | |
| Tboil | 970.87 | K | Joback Calculated Property |
| Tc | 1190.94 | K | Joback Calculated Property |
| Tfus | 527.69 | K | Joback Calculated Property |
| Vc | 1.575 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1384.47; 1490.12] | J/mol×K | [970.87; 1190.94] |
|
| Cp,gas | 1384.47 | J/mol×K | 970.87 | Joback Calculated Property |
| Cp,gas | 1405.65 | J/mol×K | 1007.55 | Joback Calculated Property |
| Cp,gas | 1425.29 | J/mol×K | 1044.23 | Joback Calculated Property |
| Cp,gas | 1443.48 | J/mol×K | 1080.90 | Joback Calculated Property |
| Cp,gas | 1460.29 | J/mol×K | 1117.58 | Joback Calculated Property |
| Cp,gas | 1475.81 | J/mol×K | 1154.26 | Joback Calculated Property |
| Cp,gas | 1490.12 | J/mol×K | 1190.94 | Joback Calculated Property |
| η | [0.0000208; 0.0003908] | Pa×s | [527.69; 970.87] |
|
| η | 0.0003908 | Pa×s | 527.69 | Joback Calculated Property |
| η | 0.0001775 | Pa×s | 601.55 | Joback Calculated Property |
| η | 0.0000958 | Pa×s | 675.42 | Joback Calculated Property |
| η | 0.0000584 | Pa×s | 749.28 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 823.14 | Joback Calculated Property |
| η | 0.0000277 | Pa×s | 897.01 | Joback Calculated Property |
| η | 0.0000208 | Pa×s | 970.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Butylbenzoic acid, octadecyl ester.
Sources
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