- InChI
- InChI=1S/C20H39ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-20(22)17-16-18-21/h2-19H2,1H3
- InChI Key
- AIPUZHUOTILFRS-UHFFFAOYSA-N
- Formula
- C20H39ClO2
- SMILES
- CCCCCCCCCCCCCCCCOC(=O)CCCCl
- Molecular Weight1
- 346.98
- CAS
- 68516-31-4
- Other Names
-
- Butanoic acid, 4-chloro, hexadecyl ester
- hexadecyl 4-chlorobutyrate
- 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.
- 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° | -128.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -716.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.66 | kJ/mol | Joback Calculated Property |
| log10WS | -7.21 | Crippen Calculated Property | |
| logPoct/wat | 7.030 | Crippen Calculated Property | |
| McVol | 312.340 | ml/mol | McGowan Calculated Property |
| Pc | 1021.38 | kPa | Joback Calculated Property |
| Inp | [2406.00; 2417.00] |
|
|
| Inp | 2406.00 | NIST | |
| Inp | 2406.00 | NIST | |
| Inp | 2412.00 | NIST | |
| Inp | 2417.00 | NIST | |
| Tboil | 770.72 | K | Joback Calculated Property |
| Tc | 948.17 | K | Joback Calculated Property |
| Tfus | 417.24 | K | Joback Calculated Property |
| Vc | 1.228 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [944.23; 1043.68] | J/mol×K | [770.72; 948.17] |
|
| Cp,gas | 944.23 | J/mol×K | 770.72 | Joback Calculated Property |
| Cp,gas | 963.08 | J/mol×K | 800.30 | Joback Calculated Property |
| Cp,gas | 980.99 | J/mol×K | 829.87 | Joback Calculated Property |
| Cp,gas | 997.98 | J/mol×K | 859.45 | Joback Calculated Property |
| Cp,gas | 1014.07 | J/mol×K | 889.02 | Joback Calculated Property |
| Cp,gas | 1029.30 | J/mol×K | 918.60 | Joback Calculated Property |
| Cp,gas | 1043.68 | J/mol×K | 948.17 | Joback Calculated Property |
| η | [0.0000640; 0.0012902] | Pa×s | [417.24; 770.72] |
|
| η | 0.0012902 | Pa×s | 417.24 | Joback Calculated Property |
| η | 0.0005737 | Pa×s | 476.15 | Joback Calculated Property |
| η | 0.0003049 | Pa×s | 535.07 | Joback Calculated Property |
| η | 0.0001837 | Pa×s | 593.98 | Joback Calculated Property |
| η | 0.0001213 | Pa×s | 652.89 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 711.81 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 770.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexadecyl 4-chlorobutanoate.
Sources
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