- InChI
- InChI=1S/C20H39ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-20(22)18-19(2)21/h19H,3-18H2,1-2H3
- InChI Key
- UGGCAGSELNTZDI-UHFFFAOYSA-N
- Formula
- C20H39ClO2
- SMILES
- CCCCCCCCCCCCCCCCOC(=O)CC(C)Cl
- Molecular Weight1
- 346.98
- Other Names
-
- Butanoic acid, 3-chloro, hexadecyl ester
- 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.
- 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 | 0.9751 | Relay (1.0) Calculated Property | |
| ΔfG° | -130.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -814.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.028 | Crippen Calculated Property | |
| McVol | 312.340 | ml/mol | McGowan Calculated Property |
| Pc | 1026.63 | kPa | Joback Calculated Property |
| Inp | [2333.00; 2342.00] |
|
|
| Inp | 2333.00 | NIST | |
| Inp | 2338.00 | NIST | |
| Inp | 2342.00 | NIST | |
| Inp | 2333.00 | NIST | |
| Tboil | 598.06 | K | Relay (1.0) Calculated Property |
| Tc | 796.66 | K | Relay (1.0) Calculated Property |
| Tfus | 307.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.198 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [944.69; 1044.59] | J/mol×K | [770.28; 948.76] |
|
| Cp,gas | 944.69 | J/mol×K | 770.28 | Joback Calculated Property |
| Cp,gas | 963.67 | J/mol×K | 800.03 | Joback Calculated Property |
| Cp,gas | 981.68 | J/mol×K | 829.77 | Joback Calculated Property |
| Cp,gas | 998.75 | J/mol×K | 859.52 | Joback Calculated Property |
| Cp,gas | 1014.91 | J/mol×K | 889.27 | Joback Calculated Property |
| Cp,gas | 1030.18 | J/mol×K | 919.02 | Joback Calculated Property |
| Cp,gas | 1044.59 | J/mol×K | 948.76 | Joback Calculated Property |
| η | [0.0000589; 0.0015827] | Pa×s | [402.24; 770.28] |
|
| η | 0.0015827 | Pa×s | 402.24 | Joback Calculated Property |
| η | 0.0006361 | Pa×s | 463.58 | Joback Calculated Property |
| η | 0.0003163 | Pa×s | 524.92 | Joback Calculated Property |
| η | 0.0001821 | Pa×s | 586.26 | Joback Calculated Property |
| η | 0.0001164 | Pa×s | 647.60 | Joback Calculated Property |
| η | 0.0000804 | Pa×s | 708.94 | Joback Calculated Property |
| η | 0.0000589 | Pa×s | 770.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecyl 3-chlorobutanoate.
Sources
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