- InChI
- InChI=1S/C20H31ClO3/c1-2-3-4-5-6-7-8-9-10-11-16-23-20(22)17-24-19-14-12-18(21)13-15-19/h12-15H,2-11,16-17H2,1H3
- InChI Key
- AADXTAYPDHMYDB-UHFFFAOYSA-N
- Formula
- C20H31ClO3
- SMILES
-
CCCCCCCCCCCCOC(=O)COc1ccc(Cl)c
c1 - Molecular Weight1
- 354.91
- 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° | -130.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -623.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.00 | kJ/mol | Joback Calculated Property |
| log10WS | -6.58 | Crippen Calculated Property | |
| logPoct/wat | 6.183 | Crippen Calculated Property | |
| McVol | 294.450 | ml/mol | McGowan Calculated Property |
| Pc | 1248.61 | kPa | Joback Calculated Property |
| Inp | [3110.00; 3110.00] |
|
|
| Inp | 3110.00 | NIST | |
| Inp | 3110.00 | NIST | |
| Tboil | 824.80 | K | Joback Calculated Property |
| Tc | 1021.83 | K | Joback Calculated Property |
| Tfus | 478.41 | K | Joback Calculated Property |
| Vc | 1.139 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [887.09; 971.40] | J/mol×K | [824.80; 1021.83] |
|
| Cp,gas | 887.09 | J/mol×K | 824.80 | Joback Calculated Property |
| Cp,gas | 903.78 | J/mol×K | 857.64 | Joback Calculated Property |
| Cp,gas | 919.38 | J/mol×K | 890.48 | Joback Calculated Property |
| Cp,gas | 933.92 | J/mol×K | 923.31 | Joback Calculated Property |
| Cp,gas | 947.42 | J/mol×K | 956.15 | Joback Calculated Property |
| Cp,gas | 959.91 | J/mol×K | 988.99 | Joback Calculated Property |
| Cp,gas | 971.40 | J/mol×K | 1021.83 | Joback Calculated Property |
| η | [0.0000493; 0.0005955] | Pa×s | [478.41; 824.80] |
|
| η | 0.0005955 | Pa×s | 478.41 | Joback Calculated Property |
| η | 0.0003144 | Pa×s | 536.14 | Joback Calculated Property |
| η | 0.0001880 | Pa×s | 593.87 | Joback Calculated Property |
| η | 0.0001231 | Pa×s | 651.61 | Joback Calculated Property |
| η | 0.0000864 | Pa×s | 709.34 | Joback Calculated Property |
| η | 0.0000639 | Pa×s | 767.07 | Joback Calculated Property |
| η | 0.0000493 | Pa×s | 824.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (4-chlorophenoxy)-, dodecyl ester.
Sources
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