- InChI
- InChI=1S/C18H35ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)21-17-16-19/h2-17H2,1H3
- InChI Key
- CPFFARIYTPCNJA-UHFFFAOYSA-N
- Formula
- C18H35ClO2
- SMILES
- CCCCCCCCCCCCCCCC(=O)OCCCl
- Molecular Weight1
- 318.92
- CAS
- 929-16-8
- Other Names
-
- 2-Chloroethyl hexadecanoate
- Hexadecanoic acid, 2-chloroethyl ester
- NSC 406555
- 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 | 0.9442 | Relay (1.0) Calculated Property | |
| ΔfG° | -145.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -760.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.250 | Crippen Calculated Property | |
| McVol | 284.160 | ml/mol | McGowan Calculated Property |
| Pc | 1159.29 | kPa | Joback Calculated Property |
| Inp | [2196.00; 2207.00] |
|
|
| Inp | 2196.00 | NIST | |
| Inp | 2202.00 | NIST | |
| Inp | 2207.00 | NIST | |
| Inp | 2207.00 | NIST | |
| Inp | 2196.00 | NIST | |
| I | [2672.00; 2701.00] |
|
|
| I | 2672.00 | NIST | |
| I | 2675.00 | NIST | |
| I | 2691.00 | NIST | |
| I | 2692.00 | NIST | |
| I | 2701.00 | NIST | |
| I | 2690.00 | NIST | |
| Tboil | 596.06 | K | Relay (1.0) Calculated Property |
| Tc | 788.34 | K | Relay (1.0) Calculated Property |
| Tfus | 302.88 | K | Relay (1.0) Calculated Property |
| Vc | 1.091 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [825.31; 920.82] | J/mol×K | [724.96; 898.71] |
|
| Cp,gas | 825.31 | J/mol×K | 724.96 | Joback Calculated Property |
| Cp,gas | 843.30 | J/mol×K | 753.92 | Joback Calculated Property |
| Cp,gas | 860.43 | J/mol×K | 782.88 | Joback Calculated Property |
| Cp,gas | 876.73 | J/mol×K | 811.84 | Joback Calculated Property |
| Cp,gas | 892.21 | J/mol×K | 840.79 | Joback Calculated Property |
| Cp,gas | 906.90 | J/mol×K | 869.75 | Joback Calculated Property |
| Cp,gas | 920.82 | J/mol×K | 898.71 | Joback Calculated Property |
| η | [0.0000844; 0.0015927] | Pa×s | [394.70; 724.96] |
|
| η | 0.0015927 | Pa×s | 394.70 | Joback Calculated Property |
| η | 0.0007235 | Pa×s | 449.74 | Joback Calculated Property |
| η | 0.0003904 | Pa×s | 504.79 | Joback Calculated Property |
| η | 0.0002378 | Pa×s | 559.83 | Joback Calculated Property |
| η | 0.0001583 | Pa×s | 614.87 | Joback Calculated Property |
| η | 0.0001127 | Pa×s | 669.92 | Joback Calculated Property |
| η | 0.0000844 | Pa×s | 724.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloroethyl palmitate.
Sources
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