- InChI
- InChI=1S/C19H27ClO4/c1-4-7-17(14(2)3)24-19(22)11-6-10-18(21)23-13-15-8-5-9-16(20)12-15/h5,8-9,12,14,17H,4,6-7,10-11,13H2,1-3H3
- InChI Key
- KIHXOAVGPRMQLG-UHFFFAOYSA-N
- Formula
- C19H27ClO4
- SMILES
-
CCCC(OC(=O)CCCC(=O)OCc1cccc(Cl
)c1)C(C)C - Molecular Weight1
- 354.87
- 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 | 0.8493 | Relay (1.0) Calculated Property | |
| ΔfG° | -272.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -842.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.921 | Crippen Calculated Property | |
| McVol | 281.930 | ml/mol | McGowan Calculated Property |
| Pc | 1418.64 | kPa | Joback Calculated Property |
| Inp | 2647.00 | NIST | |
| Tboil | 636.40 | K | Relay (1.0) Calculated Property |
| Tc | 831.10 | K | Relay (1.0) Calculated Property |
| Tfus | 268.26 | K | Relay (1.0) Calculated Property |
| Vc | 1.015 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [847.35; 920.25] | J/mol×K | [854.91; 1063.12] | 
|
| Cp,gas | 847.35 | J/mol×K | 854.91 | Joback Calculated Property |
| Cp,gas | 862.34 | J/mol×K | 889.61 | Joback Calculated Property |
| Cp,gas | 876.17 | J/mol×K | 924.31 | Joback Calculated Property |
| Cp,gas | 888.84 | J/mol×K | 959.02 | Joback Calculated Property |
| Cp,gas | 900.40 | J/mol×K | 993.72 | Joback Calculated Property |
| Cp,gas | 910.86 | J/mol×K | 1028.42 | Joback Calculated Property |
| Cp,gas | 920.25 | J/mol×K | 1063.12 | Joback Calculated Property |
| η | [0.0000458; 0.0006863] | Pa×s | [487.07; 854.91] |
|
| η | 0.0006863 | Pa×s | 487.07 | Joback Calculated Property |
| η | 0.0003396 | Pa×s | 548.38 | Joback Calculated Property |
| η | 0.0001936 | Pa×s | 609.68 | Joback Calculated Property |
| η | 0.0001223 | Pa×s | 670.99 | Joback Calculated Property |
| η | 0.0000834 | Pa×s | 732.30 | Joback Calculated Property |
| η | 0.0000604 | Pa×s | 793.60 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 854.91 | Joback Calculated Property |
Similar Compounds
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Sources
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