- InChI
- InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3
- InChI Key
- GLYJVQDYLFAUFC-UHFFFAOYSA-N
- Formula
- C20H40O2
- SMILES
- CCCCCCCCCCCCCCCC(=O)OCCCC
- Molecular Weight1
- 312.53
- CAS
- 111-06-8
- Other Names
-
- Butyl ester of hexadecanoic acid
- Butyl hexadecanoate
- Butyl palmitate
- Palmitic acid, butyl ester
- n-Butyl hexadecanoate
- n-Butyl palmitate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor 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 | 0.9747 | Relay (1.0) Calculated Property | |
| ΔfG° | -116.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -774.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.82 | Relay (1.0) 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 | [2157.00; 2188.00] |
|
|
| Inp | 2157.00 | NIST | |
| Inp | 2188.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Inp | 2174.00 | NIST | |
| Inp | 2169.00 | NIST | |
| Inp | 2157.00 | NIST | |
| Inp | 2188.00 | NIST | |
| Inp | 2157.00 | NIST | |
| I | 2419.00 | NIST | |
| Tboil | 592.59 | K | Relay (1.0) Calculated Property |
| Tc | 773.35 | K | Relay (1.0) Calculated Property |
| Tfus | 287.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.182 | m3/kmol | Relay (1.0) 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 |
| ΔvapH | 93.80 | kJ/mol | 368.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [517.80; 648.64] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.02510e+01 | |||
| Coefficient B | -7.76715e+03 | |||
| Coefficient C | -1.28730e+02 | |||
| Temperature range, min. | 517.80 | |||
| Temperature range, max. | 648.64 | |||
| Pvap | 1.33 | kPa | 517.80 | Calculated Property |
| Pvap | 2.74 | kPa | 532.34 | Calculated Property |
| Pvap | 5.34 | kPa | 546.88 | Calculated Property |
| Pvap | 9.97 | kPa | 561.41 | Calculated Property |
| Pvap | 17.88 | kPa | 575.95 | Calculated Property |
| Pvap | 30.88 | kPa | 590.49 | Calculated Property |
| Pvap | 51.61 | kPa | 605.03 | Calculated Property |
| Pvap | 83.65 | kPa | 619.56 | Calculated Property |
| Pvap | 131.87 | kPa | 634.10 | Calculated Property |
| Pvap | 202.67 | kPa | 648.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecanoic acid, butyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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