- InChI
- InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20(21)18-4-2/h3-19H2,1-2H3
- InChI Key
- NJVKAQGGBANCKG-UHFFFAOYSA-N
- Formula
- C20H40O2
- SMILES
- CCCCCCCCCCCCCCCCOC(=O)CCC
- Molecular Weight1
- 312.53
- CAS
- 6221-99-4
- Other Names
-
- Butanoic acid, hexadecyl ester
- Hexadecyl butyrate
- 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.
- I : 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° | -116.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -700.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.27 | kJ/mol | Joback Calculated Property |
| log10WS | -7.06 | Crippen Calculated Property | |
| logPoct/wat | 6.811 | Crippen Calculated Property | |
| McVol | 300.100 | ml/mol | McGowan Calculated Property |
| Pc | 1045.97 | kPa | Joback Calculated Property |
| Inp | [2154.00; 2174.00] |
|
|
| Inp | 2169.00 | NIST | |
| Inp | 2165.00 | NIST | |
| Inp | 2165.00 | NIST | |
| Inp | 2164.00 | NIST | |
| Inp | 2172.00 | NIST | |
| Inp | 2154.00 | NIST | |
| Inp | 2174.00 | NIST | |
| I | 2400.00 | NIST | |
| Tboil | 733.29 | K | Joback Calculated Property |
| Tc | 904.52 | K | Joback Calculated Property |
| Tfus | 278.00 ± 4.00 | K | NIST |
| Vc | 1.179 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [908.52; 1013.17] | J/mol×K | [733.29; 904.52] |
|
| Cp,gas | 908.52 | J/mol×K | 733.29 | Joback Calculated Property |
| Cp,gas | 928.17 | J/mol×K | 761.83 | Joback Calculated Property |
| Cp,gas | 946.91 | J/mol×K | 790.37 | Joback Calculated Property |
| Cp,gas | 964.76 | J/mol×K | 818.91 | Joback Calculated Property |
| Cp,gas | 981.74 | J/mol×K | 847.45 | Joback Calculated Property |
| Cp,gas | 997.86 | J/mol×K | 875.99 | Joback Calculated Property |
| Cp,gas | 1013.17 | J/mol×K | 904.52 | Joback Calculated Property |
| η | [0.0000733; 0.0016619] | Pa×s | [387.32; 733.29] |
|
| η | 0.0016619 | Pa×s | 387.32 | Joback Calculated Property |
| η | 0.0007053 | Pa×s | 444.98 | Joback Calculated Property |
| η | 0.0003644 | Pa×s | 502.64 | Joback Calculated Property |
| η | 0.0002156 | Pa×s | 560.30 | Joback Calculated Property |
| η | 0.0001407 | Pa×s | 617.97 | Joback Calculated Property |
| η | 0.0000988 | Pa×s | 675.63 | Joback Calculated Property |
| η | 0.0000733 | Pa×s | 733.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, hexadecyl ester.
Sources
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