- InChI
- InChI=1S/C15H27ClO4/c1-12(2)7-6-10-19-14(17)8-4-5-9-15(18)20-11-13(3)16/h12-13H,4-11H2,1-3H3
- InChI Key
- ZMRLMLDKSVHUNW-UHFFFAOYSA-N
- Formula
- C15H27ClO4
- SMILES
-
CC(C)CCCOC(=O)CCCCC(=O)OCC(C)C
l - Molecular Weight1
- 306.82
- 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 | 0.8433 | Relay (1.0) Calculated Property | |
| ΔfG° | -409.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1040.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.697 | Crippen Calculated Property | |
| McVol | 249.330 | ml/mol | McGowan Calculated Property |
| Pc | 1494.19 | kPa | Joback Calculated Property |
| Inp | 2019.00 | NIST | |
| Tboil | 589.27 | K | Relay (1.0) Calculated Property |
| Tc | 756.16 | K | Relay (1.0) Calculated Property |
| Tfus | 271.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.929 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.21; 790.58] | J/mol×K | [731.73; 916.63] | 
|
| Cp,gas | 709.21 | J/mol×K | 731.73 | Joback Calculated Property |
| Cp,gas | 724.89 | J/mol×K | 762.55 | Joback Calculated Property |
| Cp,gas | 739.70 | J/mol×K | 793.36 | Joback Calculated Property |
| Cp,gas | 753.67 | J/mol×K | 824.18 | Joback Calculated Property |
| Cp,gas | 766.81 | J/mol×K | 855.00 | Joback Calculated Property |
| Cp,gas | 779.11 | J/mol×K | 885.81 | Joback Calculated Property |
| Cp,gas | 790.58 | J/mol×K | 916.63 | Joback Calculated Property |
| η | [0.0000796; 0.0016254] | Pa×s | [403.05; 731.73] |
|
| η | 0.0016254 | Pa×s | 403.05 | Joback Calculated Property |
| η | 0.0007278 | Pa×s | 457.83 | Joback Calculated Property |
| η | 0.0003870 | Pa×s | 512.61 | Joback Calculated Property |
| η | 0.0002324 | Pa×s | 567.39 | Joback Calculated Property |
| η | 0.0001527 | Pa×s | 622.17 | Joback Calculated Property |
| η | 0.0001074 | Pa×s | 676.95 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 731.73 | Joback Calculated Property |
Similar Compounds
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Sources
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