- InChI
- InChI=1S/C21H31ClO4/c1-4-7-8-9-10-14-25-19(23)21(5-2,6-3)20(24)26-16-17-12-11-13-18(22)15-17/h11-13,15H,4-10,14,16H2,1-3H3
- InChI Key
- MSGDETQJOZIBPV-UHFFFAOYSA-N
- Formula
- C21H31ClO4
- SMILES
-
CCCCCCCOC(=O)C(CC)(CC)C(=O)OCc
1cccc(Cl)c1 - Molecular Weight1
- 382.92
- 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 | 0.8984 | Relay (1.0) Calculated Property | |
| ΔfG° | -248.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -850.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.703 | Crippen Calculated Property | |
| McVol | 310.110 | ml/mol | McGowan Calculated Property |
| Pc | 1236.35 | kPa | Joback Calculated Property |
| Inp | 2444.00 | NIST | |
| Tboil | 640.95 | K | Relay (1.0) Calculated Property |
| Tc | 856.02 | K | Relay (1.0) Calculated Property |
| Tfus | 285.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.112 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [964.91; 1039.89] | J/mol×K | [898.32; 1108.90] | 
|
| Cp,gas | 964.91 | J/mol×K | 898.32 | Joback Calculated Property |
| Cp,gas | 980.17 | J/mol×K | 933.42 | Joback Calculated Property |
| Cp,gas | 994.27 | J/mol×K | 968.51 | Joback Calculated Property |
| Cp,gas | 1007.23 | J/mol×K | 1003.61 | Joback Calculated Property |
| Cp,gas | 1019.13 | J/mol×K | 1038.71 | Joback Calculated Property |
| Cp,gas | 1030.00 | J/mol×K | 1073.80 | Joback Calculated Property |
| Cp,gas | 1039.89 | J/mol×K | 1108.90 | Joback Calculated Property |
| η | [0.0000317; 0.0003864] | Pa×s | [542.03; 898.32] |
|
| η | 0.0003864 | Pa×s | 542.03 | Joback Calculated Property |
| η | 0.0002073 | Pa×s | 601.41 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 660.79 | Joback Calculated Property |
| η | 0.0000812 | Pa×s | 720.17 | Joback Calculated Property |
| η | 0.0000566 | Pa×s | 779.56 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 838.94 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 898.32 | Joback Calculated Property |
Similar Compounds
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Sources
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