- InChI
- InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20-18(19)16-4-2/h3-17H2,1-2H3
- InChI Key
- KIRBCTVJSVTCCQ-UHFFFAOYSA-N
- Formula
- C18H36O2
- SMILES
- CCCCCCCCCCCCCCOC(=O)CCC
- Molecular Weight1
- 284.48
- CAS
- 6221-98-3
- Other Names
-
- 1-Tetradecanol, butanoate
- Butanoic acid, tetradecyl ester
- Tetradecyl butyrate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9049 | Relay (1.0) Calculated Property | |
| ΔfG° | -133.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -730.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.031 | Crippen Calculated Property | |
| McVol | 271.920 | ml/mol | McGowan Calculated Property |
| Pc | 1189.06 | kPa | Joback Calculated Property |
| Inp | [1959.00; 1974.00] |
|
|
| Inp | 1959.00 | NIST | |
| Inp | 1965.00 | NIST | |
| Inp | 1969.00 | NIST | |
| Inp | 1967.00 | NIST | |
| Inp | 1964.00 | NIST | |
| Inp | 1961.00 | NIST | |
| Inp | 1972.00 | NIST | |
| Inp | 1964.00 | NIST | |
| Inp | 1974.00 | NIST | |
| I | 2212.00 | NIST | |
| Tboil | 574.77 | K | Relay (1.0) Calculated Property |
| Tc | 756.15 | K | Relay (1.0) Calculated Property |
| Tfus | 271.15 ± 4.00 | K | NIST |
| Vc | 1.070 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [789.92; 890.54] | J/mol×K | [687.53; 855.83] |
|
| Cp,gas | 789.92 | J/mol×K | 687.53 | Joback Calculated Property |
| Cp,gas | 808.70 | J/mol×K | 715.58 | Joback Calculated Property |
| Cp,gas | 826.65 | J/mol×K | 743.63 | Joback Calculated Property |
| Cp,gas | 843.80 | J/mol×K | 771.68 | Joback Calculated Property |
| Cp,gas | 860.14 | J/mol×K | 799.73 | Joback Calculated Property |
| Cp,gas | 875.72 | J/mol×K | 827.78 | Joback Calculated Property |
| Cp,gas | 890.54 | J/mol×K | 855.83 | Joback Calculated Property |
| η | [0.0000953; 0.0020226] | Pa×s | [364.78; 687.53] |
|
| η | 0.0020226 | Pa×s | 364.78 | Joback Calculated Property |
| η | 0.0008765 | Pa×s | 418.57 | Joback Calculated Property |
| η | 0.0004595 | Pa×s | 472.36 | Joback Calculated Property |
| η | 0.0002749 | Pa×s | 526.15 | Joback Calculated Property |
| η | 0.0001809 | Pa×s | 579.95 | Joback Calculated Property |
| η | 0.0001278 | Pa×s | 633.74 | Joback Calculated Property |
| η | 0.0000953 | Pa×s | 687.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, tetradecyl ester.
Sources
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