- InChI
- InChI=1S/C22H43ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25-22(24)19-18-20-23/h2-21H2,1H3
- InChI Key
- PENLVWCLIVDARD-UHFFFAOYSA-N
- Formula
- C22H43ClO2
- SMILES
- CCCCCCCCCCCCCCCCCCOC(=O)CCCCl
- Molecular Weight1
- 375.03
- Other Names
-
- Octadecyl 4-chlorobutanoate
- 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° | -111.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -757.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.11 | kJ/mol | Joback Calculated Property |
| log10WS | -8.05 | Crippen Calculated Property | |
| logPoct/wat | 7.810 | Crippen Calculated Property | |
| McVol | 340.520 | ml/mol | McGowan Calculated Property |
| Pc | 906.70 | kPa | Joback Calculated Property |
| Inp | 2608.00 | NIST | |
| Tboil | 816.48 | K | Joback Calculated Property |
| Tc | 1000.37 | K | Joback Calculated Property |
| Tfus | 439.78 | K | Joback Calculated Property |
| Vc | 1.341 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1066.74; 1170.29] | J/mol×K | [816.48; 1000.37] | 
|
| Cp,gas | 1066.74 | J/mol×K | 816.48 | Joback Calculated Property |
| Cp,gas | 1086.54 | J/mol×K | 847.13 | Joback Calculated Property |
| Cp,gas | 1105.29 | J/mol×K | 877.78 | Joback Calculated Property |
| Cp,gas | 1123.00 | J/mol×K | 908.43 | Joback Calculated Property |
| Cp,gas | 1139.72 | J/mol×K | 939.07 | Joback Calculated Property |
| Cp,gas | 1155.47 | J/mol×K | 969.72 | Joback Calculated Property |
| Cp,gas | 1170.29 | J/mol×K | 1000.37 | Joback Calculated Property |
| η | [0.0000479; 0.0010274] | Pa×s | [439.78; 816.48] |
|
| η | 0.0010274 | Pa×s | 439.78 | Joback Calculated Property |
| η | 0.0004480 | Pa×s | 502.56 | Joback Calculated Property |
| η | 0.0002349 | Pa×s | 565.35 | Joback Calculated Property |
| η | 0.0001402 | Pa×s | 628.13 | Joback Calculated Property |
| η | 0.0000918 | Pa×s | 690.91 | Joback Calculated Property |
| η | 0.0000646 | Pa×s | 753.70 | Joback Calculated Property |
| η | 0.0000479 | Pa×s | 816.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobutyric acid, octadecyl ester.
Sources
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