- InChI
- InChI=1S/C17H31ClO4/c1-14(2)12-21-16(19)10-8-6-4-5-7-9-11-17(20)22-13-15(3)18/h14-15H,4-13H2,1-3H3
- InChI Key
- XJHDWUFLKOULST-UHFFFAOYSA-N
- Formula
- C17H31ClO4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)OCC(C
)Cl - Molecular Weight1
- 334.88
- 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 | 0.9218 | Relay (1.0) Calculated Property | |
| ΔfG° | -392.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1073.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.477 | Crippen Calculated Property | |
| McVol | 277.510 | ml/mol | McGowan Calculated Property |
| Pc | 1294.86 | kPa | Joback Calculated Property |
| Inp | [2236.00; 2236.00] |
|
|
| Inp | 2236.00 | NIST | |
| Inp | 2236.00 | NIST | |
| Tboil | 604.37 | K | Relay (1.0) Calculated Property |
| Tc | 774.67 | K | Relay (1.0) Calculated Property |
| Tfus | 294.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.050 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [823.50; 907.93] | J/mol×K | [777.49; 963.26] |
|
| Cp,gas | 823.50 | J/mol×K | 777.49 | Joback Calculated Property |
| Cp,gas | 839.90 | J/mol×K | 808.45 | Joback Calculated Property |
| Cp,gas | 855.35 | J/mol×K | 839.41 | Joback Calculated Property |
| Cp,gas | 869.87 | J/mol×K | 870.38 | Joback Calculated Property |
| Cp,gas | 883.46 | J/mol×K | 901.34 | Joback Calculated Property |
| Cp,gas | 896.14 | J/mol×K | 932.30 | Joback Calculated Property |
| Cp,gas | 907.93 | J/mol×K | 963.26 | Joback Calculated Property |
| η | [0.0000598; 0.0012997] | Pa×s | [425.59; 777.49] |
|
| η | 0.0012997 | Pa×s | 425.59 | Joback Calculated Property |
| η | 0.0005702 | Pa×s | 484.24 | Joback Calculated Property |
| η | 0.0002990 | Pa×s | 542.89 | Joback Calculated Property |
| η | 0.0001778 | Pa×s | 601.54 | Joback Calculated Property |
| η | 0.0001159 | Pa×s | 660.19 | Joback Calculated Property |
| η | 0.0000811 | Pa×s | 718.84 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 777.49 | Joback Calculated Property |
Similar Compounds
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Sources
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