- InChI
- InChI=1S/C22H39ClO4/c1-2-3-4-5-6-7-8-9-10-13-17-26-21(24)19-14-11-12-15-20(19)22(25)27-18-16-23/h19-20H,2-18H2,1H3
- InChI Key
- QDGLGTBGQBDRQZ-UHFFFAOYSA-N
- Formula
- C22H39ClO4
- SMILES
-
CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O
)OCCCl - Molecular Weight1
- 403.00
- 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° | -328.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -968.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.38 | kJ/mol | Joback Calculated Property |
| log10WS | -6.32 | Crippen Calculated Property | |
| logPoct/wat | 6.039 | Crippen Calculated Property | |
| McVol | 337.100 | ml/mol | McGowan Calculated Property |
| Pc | 1038.57 | kPa | Joback Calculated Property |
| Inp | [2777.00; 2777.00] |
|
|
| Inp | 2777.00 | NIST | |
| Inp | 2777.00 | NIST | |
| Tboil | 907.65 | K | Joback Calculated Property |
| Tc | 1113.21 | K | Joback Calculated Property |
| Tfus | 515.08 | K | Joback Calculated Property |
| Vc | 1.296 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1123.87; 1210.79] | J/mol×K | [907.65; 1113.21] |
|
| Cp,gas | 1123.87 | J/mol×K | 907.65 | Joback Calculated Property |
| Cp,gas | 1142.01 | J/mol×K | 941.91 | Joback Calculated Property |
| Cp,gas | 1158.66 | J/mol×K | 976.17 | Joback Calculated Property |
| Cp,gas | 1173.84 | J/mol×K | 1010.43 | Joback Calculated Property |
| Cp,gas | 1187.57 | J/mol×K | 1044.69 | Joback Calculated Property |
| Cp,gas | 1199.88 | J/mol×K | 1078.95 | Joback Calculated Property |
| Cp,gas | 1210.79 | J/mol×K | 1113.21 | Joback Calculated Property |
| η | [0.0000456; 0.0006506] | Pa×s | [515.08; 907.65] |
|
| η | 0.0006506 | Pa×s | 515.08 | Joback Calculated Property |
| η | 0.0003254 | Pa×s | 580.51 | Joback Calculated Property |
| η | 0.0001873 | Pa×s | 645.94 | Joback Calculated Property |
| η | 0.0001193 | Pa×s | 711.37 | Joback Calculated Property |
| η | 0.0000820 | Pa×s | 776.79 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 842.22 | Joback Calculated Property |
| η | 0.0000456 | Pa×s | 907.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl dodecyl ester.
Sources
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