- InChI
- InChI=1S/C21H41ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-21(23)18-19-22/h2-20H2,1H3
- InChI Key
- IWNDNJGFFCNPKN-UHFFFAOYSA-N
- Formula
- C21H41ClO2
- SMILES
- CCCCCCCCCCCCCCCCCCOC(=O)CCCl
- Molecular Weight1
- 361.00
- CAS
- 88168-99-4
- Other Names
-
- Propanoic acid, 3-chloro, octadecyl ester
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | -119.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -737.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.88 | kJ/mol | Joback Calculated Property |
| log10WS | -7.63 | Crippen Calculated Property | |
| logPoct/wat | 7.420 | Crippen Calculated Property | |
| McVol | 326.430 | ml/mol | McGowan Calculated Property |
| Pc | 961.48 | kPa | Joback Calculated Property |
| Inp | [2499.00; 2516.00] |
|
|
| Inp | 2499.00 | NIST | |
| Inp | 2504.00 | NIST | |
| Inp | 2511.00 | NIST | |
| Inp | 2516.00 | NIST | |
| Inp | 2499.00 | NIST | |
| I | [2983.00; 3015.00] |
|
|
| I | 2983.00 | NIST | |
| I | 3006.00 | NIST | |
| I | 3015.00 | NIST | |
| I | 2983.00 | NIST | |
| Tboil | 793.60 | K | Joback Calculated Property |
| Tc | 973.90 | K | Joback Calculated Property |
| Tfus | 428.51 | K | Joback Calculated Property |
| Vc | 1.284 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1005.07; 1106.54] | J/mol×K | [793.60; 973.90] |
|
| Cp,gas | 1005.07 | J/mol×K | 793.60 | Joback Calculated Property |
| Cp,gas | 1024.39 | J/mol×K | 823.65 | Joback Calculated Property |
| Cp,gas | 1042.70 | J/mol×K | 853.70 | Joback Calculated Property |
| Cp,gas | 1060.04 | J/mol×K | 883.75 | Joback Calculated Property |
| Cp,gas | 1076.44 | J/mol×K | 913.80 | Joback Calculated Property |
| Cp,gas | 1091.93 | J/mol×K | 943.85 | Joback Calculated Property |
| Cp,gas | 1106.54 | J/mol×K | 973.90 | Joback Calculated Property |
| η | [0.0000554; 0.0011536] | Pa×s | [428.51; 793.60] |
|
| η | 0.0011536 | Pa×s | 428.51 | Joback Calculated Property |
| η | 0.0005079 | Pa×s | 489.36 | Joback Calculated Property |
| η | 0.0002681 | Pa×s | 550.21 | Joback Calculated Property |
| η | 0.0001607 | Pa×s | 611.05 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 671.90 | Joback Calculated Property |
| η | 0.0000745 | Pa×s | 732.75 | Joback Calculated Property |
| η | 0.0000554 | Pa×s | 793.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloropropionic acid, octadecyl ester.
Sources
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