- InChI
- InChI=1S/C19H31ClO4/c1-13(2)11-23-18(21)15-8-4-5-9-16(15)19(22)24-12-14-7-3-6-10-17(14)20/h13-17H,3-12H2,1-2H3
- InChI Key
- VITSSUIDGHFLAL-UHFFFAOYSA-N
- Formula
- C19H31ClO4
- SMILES
-
CC(C)COC(=O)C1CCCCC1C(=O)OCC1C
CCCC1Cl - Molecular Weight1
- 358.90
- 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 | 0.6970 | Relay (1.0) Calculated Property | |
| ΔfG° | -339.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1031.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.333 | Crippen Calculated Property | |
| McVol | 283.970 | ml/mol | McGowan Calculated Property |
| Pc | 1440.25 | kPa | Joback Calculated Property |
| Inp | 2463.00 | NIST | |
| Tboil | 659.55 | K | Relay (1.0) Calculated Property |
| Tc | 883.73 | K | Relay (1.0) Calculated Property |
| Tfus | 345.13 | K | Relay (1.0) Calculated Property |
| Vc | 1.021 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [940.64; 1029.89] | J/mol×K | [853.45; 1074.95] | 
|
| Cp,gas | 940.64 | J/mol×K | 853.45 | Joback Calculated Property |
| Cp,gas | 960.01 | J/mol×K | 890.37 | Joback Calculated Property |
| Cp,gas | 977.56 | J/mol×K | 927.28 | Joback Calculated Property |
| Cp,gas | 993.31 | J/mol×K | 964.20 | Joback Calculated Property |
| Cp,gas | 1007.27 | J/mol×K | 1001.12 | Joback Calculated Property |
| Cp,gas | 1019.46 | J/mol×K | 1038.03 | Joback Calculated Property |
| Cp,gas | 1029.89 | J/mol×K | 1074.95 | Joback Calculated Property |
| η | [0.0000865; 0.0012652] | Pa×s | [469.41; 853.45] |
|
| η | 0.0012652 | Pa×s | 469.41 | Joback Calculated Property |
| η | 0.0006187 | Pa×s | 533.42 | Joback Calculated Property |
| η | 0.0003527 | Pa×s | 597.42 | Joback Calculated Property |
| η | 0.0002241 | Pa×s | 661.43 | Joback Calculated Property |
| η | 0.0001543 | Pa×s | 725.44 | Joback Calculated Property |
| η | 0.0001129 | Pa×s | 789.44 | Joback Calculated Property |
| η | 0.0000865 | Pa×s | 853.45 | Joback Calculated Property |
Similar Compounds
Sources
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