- InChI
- InChI=1S/C20H25ClO4/c1-3-4-7-12-24-19(22)16-8-5-6-9-17(16)20(23)25-15-10-11-18(21)14(2)13-15/h5-6,10-11,13,16-17H,3-4,7-9,12H2,1-2H3
- InChI Key
- DLEFENZZYQFVGZ-UHFFFAOYSA-N
- Formula
- C20H25ClO4
- SMILES
-
CCCCCOC(=O)C1CC=CCC1C(=O)Oc1cc
c(Cl)c(C)c1 - Molecular Weight1
- 364.86
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -222.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -656.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.82 | kJ/mol | Joback Calculated Property |
| log10WS | -5.68 | Crippen Calculated Property | |
| logPoct/wat | 4.870 | Crippen Calculated Property | |
| McVol | 280.860 | ml/mol | McGowan Calculated Property |
| Pc | 1509.33 | kPa | Joback Calculated Property |
| Inp | [2611.00; 2611.00] |
|
|
| Inp | 2611.00 | NIST | |
| Inp | 2611.00 | NIST | |
| Tboil | 897.69 | K | Joback Calculated Property |
| Tc | 1122.35 | K | Joback Calculated Property |
| Tfus | 544.76 | K | Joback Calculated Property |
| Vc | 1.062 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [873.20; 940.18] | J/mol×K | [897.69; 1122.35] |
|
| Cp,gas | 873.20 | J/mol×K | 897.69 | Joback Calculated Property |
| Cp,gas | 888.08 | J/mol×K | 935.13 | Joback Calculated Property |
| Cp,gas | 901.45 | J/mol×K | 972.58 | Joback Calculated Property |
| Cp,gas | 913.32 | J/mol×K | 1010.02 | Joback Calculated Property |
| Cp,gas | 923.71 | J/mol×K | 1047.47 | Joback Calculated Property |
| Cp,gas | 932.66 | J/mol×K | 1084.91 | Joback Calculated Property |
| Cp,gas | 940.18 | J/mol×K | 1122.35 | Joback Calculated Property |
| η | [0.0000707; 0.0005387] | Pa×s | [544.76; 897.69] |
|
| η | 0.0005387 | Pa×s | 544.76 | Joback Calculated Property |
| η | 0.0003257 | Pa×s | 603.58 | Joback Calculated Property |
| η | 0.0002153 | Pa×s | 662.40 | Joback Calculated Property |
| η | 0.0001523 | Pa×s | 721.22 | Joback Calculated Property |
| η | 0.0001135 | Pa×s | 780.05 | Joback Calculated Property |
| η | 0.0000881 | Pa×s | 838.87 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 897.69 | Joback Calculated Property |
Similar Compounds
Sources
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