- InChI
- InChI=1S/C16H27ClO4/c1-2-3-4-7-11-20-15(18)13-8-5-6-9-14(13)16(19)21-12-10-17/h13-14H,2-12H2,1H3
- InChI Key
- ZQWQNQKPBZBMTF-UHFFFAOYSA-N
- Formula
- C16H27ClO4
- SMILES
- CCCCCCOC(=O)C1CCCCC1C(=O)OCCCl
- Molecular Weight1
- 318.84
- 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° | -379.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -844.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.03 | kJ/mol | Joback Calculated Property |
| log10WS | -3.81 | Crippen Calculated Property | |
| logPoct/wat | 3.698 | Crippen Calculated Property | |
| McVol | 252.560 | ml/mol | McGowan Calculated Property |
| Pc | 1565.99 | kPa | Joback Calculated Property |
| Inp | [2156.00; 2156.00] |
|
|
| Inp | 2156.00 | NIST | |
| Inp | 2156.00 | NIST | |
| Tboil | 770.37 | K | Joback Calculated Property |
| Tc | 970.45 | K | Joback Calculated Property |
| Tfus | 447.46 | K | Joback Calculated Property |
| Vc | 0.961 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [762.94; 850.43] | J/mol×K | [770.37; 970.45] |
|
| Cp,gas | 762.94 | J/mol×K | 770.37 | Joback Calculated Property |
| Cp,gas | 780.45 | J/mol×K | 803.72 | Joback Calculated Property |
| Cp,gas | 796.78 | J/mol×K | 837.06 | Joback Calculated Property |
| Cp,gas | 811.93 | J/mol×K | 870.41 | Joback Calculated Property |
| Cp,gas | 825.91 | J/mol×K | 903.76 | Joback Calculated Property |
| Cp,gas | 838.74 | J/mol×K | 937.11 | Joback Calculated Property |
| Cp,gas | 850.43 | J/mol×K | 970.45 | Joback Calculated Property |
| η | [0.0001064; 0.0012169] | Pa×s | [447.46; 770.37] |
|
| η | 0.0012169 | Pa×s | 447.46 | Joback Calculated Property |
| η | 0.0006519 | Pa×s | 501.28 | Joback Calculated Property |
| η | 0.0003941 | Pa×s | 555.10 | Joback Calculated Property |
| η | 0.0002605 | Pa×s | 608.91 | Joback Calculated Property |
| η | 0.0001841 | Pa×s | 662.73 | Joback Calculated Property |
| η | 0.0001371 | Pa×s | 716.55 | Joback Calculated Property |
| η | 0.0001064 | Pa×s | 770.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl hexyl ester.
Sources
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