- InChI
- InChI=1S/C21H27ClO4/c1-3-4-5-8-13-25-20(23)17-9-6-7-10-18(17)21(24)26-16-11-12-19(22)15(2)14-16/h6-7,11-12,14,17-18H,3-5,8-10,13H2,1-2H3
- InChI Key
- UFKCGOZAOHSYHY-UHFFFAOYSA-N
- Formula
- C21H27ClO4
- SMILES
-
CCCCCCOC(=O)C1CC=CCC1C(=O)Oc1c
cc(Cl)c(C)c1 - Molecular Weight1
- 378.89
- 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° | -213.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -676.76 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.05 | kJ/mol | Joback Calculated Property |
| log10WS | -6.10 | Crippen Calculated Property | |
| logPoct/wat | 5.260 | Crippen Calculated Property | |
| McVol | 294.950 | ml/mol | McGowan Calculated Property |
| Pc | 1402.74 | kPa | Joback Calculated Property |
| Inp | [2707.00; 2707.00] |
|
|
| Inp | 2707.00 | NIST | |
| Inp | 2707.00 | NIST | |
| Tboil | 920.57 | K | Joback Calculated Property |
| Tc | 1144.42 | K | Joback Calculated Property |
| Tfus | 556.03 | K | Joback Calculated Property |
| Vc | 1.119 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [932.20; 998.36] | J/mol×K | [920.57; 1144.42] |
|
| Cp,gas | 932.20 | J/mol×K | 920.57 | Joback Calculated Property |
| Cp,gas | 947.01 | J/mol×K | 957.88 | Joback Calculated Property |
| Cp,gas | 960.28 | J/mol×K | 995.19 | Joback Calculated Property |
| Cp,gas | 972.02 | J/mol×K | 1032.50 | Joback Calculated Property |
| Cp,gas | 982.26 | J/mol×K | 1069.81 | Joback Calculated Property |
| Cp,gas | 991.03 | J/mol×K | 1107.11 | Joback Calculated Property |
| Cp,gas | 998.36 | J/mol×K | 1144.42 | Joback Calculated Property |
| η | [0.0000617; 0.0004891] | Pa×s | [556.03; 920.57] |
|
| η | 0.0004891 | Pa×s | 556.03 | Joback Calculated Property |
| η | 0.0002922 | Pa×s | 616.79 | Joback Calculated Property |
| η | 0.0001915 | Pa×s | 677.54 | Joback Calculated Property |
| η | 0.0001345 | Pa×s | 738.30 | Joback Calculated Property |
| η | 0.0000997 | Pa×s | 799.06 | Joback Calculated Property |
| η | 0.0000771 | Pa×s | 859.81 | Joback Calculated Property |
| η | 0.0000617 | Pa×s | 920.57 | Joback Calculated Property |
Similar Compounds
Sources
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