- InChI
- InChI=1S/C25H50O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-24(26)21-23(2)22-25(3,4)5/h23H,6-22H2,1-5H3
- InChI Key
- HJQLXIPVQPEJRY-UHFFFAOYSA-N
- Formula
- C25H50O2
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CC(C)CC(
C)(C)C - Molecular Weight1
- 382.66
- 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° | -73.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.72 | kJ/mol | Joback Calculated Property |
| log10WS | -8.67 | Crippen Calculated Property | |
| logPoct/wat | 8.473 | Crippen Calculated Property | |
| McVol | 370.550 | ml/mol | McGowan Calculated Property |
| Pc | 795.73 | kPa | Joback Calculated Property |
| Inp | [2546.00; 2546.00] |
|
|
| Inp | 2546.00 | NIST | |
| Inp | 2546.00 | NIST | |
| Tboil | 844.02 | K | Joback Calculated Property |
| Tc | 1033.52 | K | Joback Calculated Property |
| Tfus | 431.09 | K | Joback Calculated Property |
| Vc | 1.442 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1221.43; 1336.11] | J/mol×K | [844.02; 1033.52] |
|
| Cp,gas | 1221.43 | J/mol×K | 844.02 | Joback Calculated Property |
| Cp,gas | 1243.40 | J/mol×K | 875.60 | Joback Calculated Property |
| Cp,gas | 1264.15 | J/mol×K | 907.19 | Joback Calculated Property |
| Cp,gas | 1283.75 | J/mol×K | 938.77 | Joback Calculated Property |
| Cp,gas | 1302.23 | J/mol×K | 970.36 | Joback Calculated Property |
| Cp,gas | 1319.67 | J/mol×K | 1001.94 | Joback Calculated Property |
| Cp,gas | 1336.11 | J/mol×K | 1033.52 | Joback Calculated Property |
| η | [0.0000261; 0.0011204] | Pa×s | [431.09; 844.02] |
|
| η | 0.0011204 | Pa×s | 431.09 | Joback Calculated Property |
| η | 0.0003892 | Pa×s | 499.91 | Joback Calculated Property |
| η | 0.0001746 | Pa×s | 568.73 | Joback Calculated Property |
| η | 0.0000931 | Pa×s | 637.56 | Joback Calculated Property |
| η | 0.0000562 | Pa×s | 706.38 | Joback Calculated Property |
| η | 0.0000370 | Pa×s | 775.20 | Joback Calculated Property |
| η | 0.0000261 | Pa×s | 844.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, 3,5,5-trimethyl-, hexadecyl ester.
Sources
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