- InChI
- InChI=1S/C21H37ClO4/c1-2-3-4-5-6-7-8-9-12-16-25-20(23)18-13-10-11-14-19(18)21(24)26-17-15-22/h18-19H,2-17H2,1H3
- InChI Key
- DXMZDAHEIVWOBD-UHFFFAOYSA-N
- Formula
- C21H37ClO4
- SMILES
-
CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)
OCCCl - Molecular Weight1
- 388.97
- 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° | -337.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -948.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.16 | kJ/mol | Joback Calculated Property |
| log10WS | -5.90 | Crippen Calculated Property | |
| logPoct/wat | 5.649 | Crippen Calculated Property | |
| McVol | 323.010 | ml/mol | McGowan Calculated Property |
| Pc | 1105.94 | kPa | Joback Calculated Property |
| Inp | [2675.00; 2675.00] |
|
|
| Inp | 2675.00 | NIST | |
| Inp | 2675.00 | NIST | |
| Tboil | 884.77 | K | Joback Calculated Property |
| Tc | 1087.55 | K | Joback Calculated Property |
| Tfus | 503.81 | K | Joback Calculated Property |
| Vc | 1.240 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1062.09; 1149.37] | J/mol×K | [884.77; 1087.55] |
|
| Cp,gas | 1062.09 | J/mol×K | 884.77 | Joback Calculated Property |
| Cp,gas | 1080.14 | J/mol×K | 918.57 | Joback Calculated Property |
| Cp,gas | 1096.75 | J/mol×K | 952.36 | Joback Calculated Property |
| Cp,gas | 1111.95 | J/mol×K | 986.16 | Joback Calculated Property |
| Cp,gas | 1125.78 | J/mol×K | 1019.96 | Joback Calculated Property |
| Cp,gas | 1138.24 | J/mol×K | 1053.75 | Joback Calculated Property |
| Cp,gas | 1149.37 | J/mol×K | 1087.55 | Joback Calculated Property |
| η | [0.0000528; 0.0007293] | Pa×s | [503.81; 884.77] |
|
| η | 0.0007293 | Pa×s | 503.81 | Joback Calculated Property |
| η | 0.0003686 | Pa×s | 567.30 | Joback Calculated Property |
| η | 0.0002137 | Pa×s | 630.80 | Joback Calculated Property |
| η | 0.0001369 | Pa×s | 694.29 | Joback Calculated Property |
| η | 0.0000945 | Pa×s | 757.78 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 821.28 | Joback Calculated Property |
| η | 0.0000528 | Pa×s | 884.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl undecyl ester.
Sources
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