- InChI
- InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21-24-22(23)20-18-6-4-2/h3-21H2,1-2H3
- InChI Key
- SDPBXXCJVDQPIQ-UHFFFAOYSA-N
- Formula
- C22H44O2
- SMILES
- CCCCCCCCCCCCCCCCOC(=O)CCCCC
- Molecular Weight1
- 340.58
- CAS
- 14331-11-4
- Other Names
-
- Hexadecyl caproate
- 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° | -99.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.72 | kJ/mol | Joback Calculated Property |
| log10WS | -7.89 | Crippen Calculated Property | |
| logPoct/wat | 7.591 | Crippen Calculated Property | |
| McVol | 328.280 | ml/mol | McGowan Calculated Property |
| Pc | 927.24 | kPa | Joback Calculated Property |
| Inp | [2366.00; 2366.00] |
|
|
| Inp | 2366.00 | NIST | |
| Inp | 2366.00 | NIST | |
| Tboil | 779.05 | K | Joback Calculated Property |
| Tc | 955.69 | K | Joback Calculated Property |
| Tfus | 409.86 | K | Joback Calculated Property |
| Vc | 1.292 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1031.01; 1139.78] | J/mol×K | [779.05; 955.69] |
|
| Cp,gas | 1031.01 | J/mol×K | 779.05 | Joback Calculated Property |
| Cp,gas | 1051.60 | J/mol×K | 808.49 | Joback Calculated Property |
| Cp,gas | 1071.17 | J/mol×K | 837.93 | Joback Calculated Property |
| Cp,gas | 1089.74 | J/mol×K | 867.37 | Joback Calculated Property |
| Cp,gas | 1107.35 | J/mol×K | 896.81 | Joback Calculated Property |
| Cp,gas | 1124.02 | J/mol×K | 926.25 | Joback Calculated Property |
| Cp,gas | 1139.78 | J/mol×K | 955.69 | Joback Calculated Property |
| η | [0.0000557; 0.0013386] | Pa×s | [409.86; 779.05] |
|
| η | 0.0013386 | Pa×s | 409.86 | Joback Calculated Property |
| η | 0.0005575 | Pa×s | 471.39 | Joback Calculated Property |
| η | 0.0002843 | Pa×s | 532.92 | Joback Calculated Property |
| η | 0.0001666 | Pa×s | 594.45 | Joback Calculated Property |
| η | 0.0001080 | Pa×s | 655.99 | Joback Calculated Property |
| η | 0.0000754 | Pa×s | 717.52 | Joback Calculated Property |
| η | 0.0000557 | Pa×s | 779.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanoic acid, hexadecyl ester.
Sources
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