- InChI
- InChI=1S/C21H33ClO3/c1-2-3-4-5-6-7-8-9-10-11-12-17-24-21(23)18-25-20-15-13-19(22)14-16-20/h13-16H,2-12,17-18H2,1H3
- InChI Key
- UVORFUCIVQTNPB-UHFFFAOYSA-N
- Formula
- C21H33ClO3
- SMILES
-
CCCCCCCCCCCCCOC(=O)COc1ccc(Cl)
cc1 - Molecular Weight1
- 368.94
- 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° | -122.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -644.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.23 | kJ/mol | Joback Calculated Property |
| log10WS | -7.00 | Crippen Calculated Property | |
| logPoct/wat | 6.573 | Crippen Calculated Property | |
| McVol | 308.540 | ml/mol | McGowan Calculated Property |
| Pc | 1168.02 | kPa | Joback Calculated Property |
| Inp | [3220.00; 3220.00] |
|
|
| Inp | 3220.00 | NIST | |
| Inp | 3220.00 | NIST | |
| Tboil | 847.68 | K | Joback Calculated Property |
| Tc | 1045.83 | K | Joback Calculated Property |
| Tfus | 489.68 | K | Joback Calculated Property |
| Vc | 1.194 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [946.61; 1031.75] | J/mol×K | [847.68; 1045.83] |
|
| Cp,gas | 946.61 | J/mol×K | 847.68 | Joback Calculated Property |
| Cp,gas | 963.54 | J/mol×K | 880.70 | Joback Calculated Property |
| Cp,gas | 979.34 | J/mol×K | 913.73 | Joback Calculated Property |
| Cp,gas | 994.03 | J/mol×K | 946.75 | Joback Calculated Property |
| Cp,gas | 1007.65 | J/mol×K | 979.78 | Joback Calculated Property |
| Cp,gas | 1020.21 | J/mol×K | 1012.80 | Joback Calculated Property |
| Cp,gas | 1031.75 | J/mol×K | 1045.83 | Joback Calculated Property |
| η | [0.0000428; 0.0005365] | Pa×s | [489.68; 847.68] |
|
| η | 0.0005365 | Pa×s | 489.68 | Joback Calculated Property |
| η | 0.0002800 | Pa×s | 549.35 | Joback Calculated Property |
| η | 0.0001660 | Pa×s | 609.01 | Joback Calculated Property |
| η | 0.0001080 | Pa×s | 668.68 | Joback Calculated Property |
| η | 0.0000754 | Pa×s | 728.35 | Joback Calculated Property |
| η | 0.0000556 | Pa×s | 788.01 | Joback Calculated Property |
| η | 0.0000428 | Pa×s | 847.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetic acid, (4-chlorophenoxy)-, tridecyl ester.
Sources
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