- InChI
- InChI=1S/C20H35ClO4/c1-18(2)12-11-17-25-20(23)14-13-19(22)24-16-10-8-6-4-3-5-7-9-15-21/h13-14,18H,3-12,15-17H2,1-2H3/b14-13+
- InChI Key
- ITEOWUDKTFDNPT-BUHFOSPRSA-N
- Formula
- C20H35ClO4
- SMILES
-
CC(C)CCCOC(=O)C=CC(=O)OCCCCCCC
CCCCl - Molecular Weight1
- 374.94
- 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° | -284.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -849.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.38 | kJ/mol | Joback Calculated Property |
| log10WS | -5.68 | Crippen Calculated Property | |
| logPoct/wat | 5.425 | Crippen Calculated Property | |
| McVol | 315.480 | ml/mol | McGowan Calculated Property |
| Pc | 1094.27 | kPa | Joback Calculated Property |
| Inp | 2671.00 | NIST | |
| Tboil | 850.73 | K | Joback Calculated Property |
| Tc | 1044.27 | K | Joback Calculated Property |
| Tfus | 469.32 | K | Joback Calculated Property |
| Vc | 1.226 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [975.00; 1061.03] | J/mol×K | [850.73; 1044.27] | 
|
| Cp,gas | 975.00 | J/mol×K | 850.73 | Joback Calculated Property |
| Cp,gas | 991.85 | J/mol×K | 882.99 | Joback Calculated Property |
| Cp,gas | 1007.65 | J/mol×K | 915.24 | Joback Calculated Property |
| Cp,gas | 1022.43 | J/mol×K | 947.50 | Joback Calculated Property |
| Cp,gas | 1036.24 | J/mol×K | 979.76 | Joback Calculated Property |
| Cp,gas | 1049.09 | J/mol×K | 1012.02 | Joback Calculated Property |
| Cp,gas | 1061.03 | J/mol×K | 1044.27 | Joback Calculated Property |
| η | [0.0000364; 0.0007139] | Pa×s | [469.32; 850.73] |
|
| η | 0.0007139 | Pa×s | 469.32 | Joback Calculated Property |
| η | 0.0003234 | Pa×s | 532.89 | Joback Calculated Property |
| η | 0.0001734 | Pa×s | 596.46 | Joback Calculated Property |
| η | 0.0001049 | Pa×s | 660.02 | Joback Calculated Property |
| η | 0.0000693 | Pa×s | 723.59 | Joback Calculated Property |
| η | 0.0000489 | Pa×s | 787.16 | Joback Calculated Property |
| η | 0.0000364 | Pa×s | 850.73 | Joback Calculated Property |
Similar Compounds
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Sources
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