- InChI
- InChI=1S/C20H29ClO5/c1-2-3-4-5-6-7-8-13-25-19(22)15-24-16-20(23)26-14-17-9-11-18(21)12-10-17/h9-12H,2-8,13-16H2,1H3
- InChI Key
- LCKGRVJKRUMRKM-UHFFFAOYSA-N
- Formula
- C20H29ClO5
- SMILES
-
CCCCCCCCCOC(=O)COCC(=O)OCc1ccc
(Cl)cc1 - Molecular Weight1
- 384.89
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0284 | Relay (1.0) Calculated Property | |
| ΔfG° | -364.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -970.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.694 | Crippen Calculated Property | |
| McVol | 301.890 | ml/mol | McGowan Calculated Property |
| Pc | 1290.21 | kPa | Joback Calculated Property |
| Inp | [3475.00; 3475.00] |
|
|
| Inp | 3475.00 | NIST | |
| Inp | 3475.00 | NIST | |
| Tboil | 667.06 | K | Relay (1.0) Calculated Property |
| Tc | 858.44 | K | Relay (1.0) Calculated Property |
| Tfus | 301.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.119 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [933.48; 1001.35] | J/mol×K | [901.09; 1108.44] |
|
| Cp,gas | 933.48 | J/mol×K | 901.09 | Joback Calculated Property |
| Cp,gas | 947.89 | J/mol×K | 935.65 | Joback Calculated Property |
| Cp,gas | 961.05 | J/mol×K | 970.21 | Joback Calculated Property |
| Cp,gas | 972.96 | J/mol×K | 1004.76 | Joback Calculated Property |
| Cp,gas | 983.64 | J/mol×K | 1039.32 | Joback Calculated Property |
| Cp,gas | 993.10 | J/mol×K | 1073.88 | Joback Calculated Property |
| Cp,gas | 1001.35 | J/mol×K | 1108.44 | Joback Calculated Property |
| η | [0.0000352; 0.0003387] | Pa×s | [550.57; 901.09] |
|
| η | 0.0003387 | Pa×s | 550.57 | Joback Calculated Property |
| η | 0.0001938 | Pa×s | 608.99 | Joback Calculated Property |
| η | 0.0001222 | Pa×s | 667.41 | Joback Calculated Property |
| η | 0.0000830 | Pa×s | 725.83 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 784.25 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 842.67 | Joback Calculated Property |
| η | 0.0000352 | Pa×s | 901.09 | Joback Calculated Property |
Similar Compounds
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Sources
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