- InChI
- InChI=1S/C21H27Cl3O4/c1-21(2,3)13-7-9-15(10-8-13)27-18(25)5-4-6-19(26)28-20-16(23)11-14(22)12-17(20)24/h11-13,15H,4-10H2,1-3H3
- InChI Key
- RZNLJEODKODEMK-UHFFFAOYSA-N
- Formula
- C21H27Cl3O4
- SMILES
-
CC(C)(C)C1CCC(OC(=O)CCCC(=O)Oc
2c(Cl)cc(Cl)cc2Cl)CC1 - Molecular Weight1
- 449.80
- 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° | -274.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.89 | kJ/mol | Joback Calculated Property |
| log10WS | -7.67 | Crippen Calculated Property | |
| logPoct/wat | 6.871 | Crippen Calculated Property | |
| McVol | 323.730 | ml/mol | McGowan Calculated Property |
| Pc | 1297.66 | kPa | Joback Calculated Property |
| Inp | [3087.00; 3087.00] |
|
|
| Inp | 3087.00 | NIST | |
| Inp | 3087.00 | NIST | |
| Tboil | 998.02 | K | Joback Calculated Property |
| Tc | 1236.30 | K | Joback Calculated Property |
| Tfus | 630.05 | K | Joback Calculated Property |
| Vc | 1.220 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1007.48; 1059.22] | J/mol×K | [998.02; 1236.30] |
|
| Cp,gas | 1007.48 | J/mol×K | 998.02 | Joback Calculated Property |
| Cp,gas | 1019.92 | J/mol×K | 1037.73 | Joback Calculated Property |
| Cp,gas | 1030.75 | J/mol×K | 1077.45 | Joback Calculated Property |
| Cp,gas | 1040.05 | J/mol×K | 1117.16 | Joback Calculated Property |
| Cp,gas | 1047.86 | J/mol×K | 1156.88 | Joback Calculated Property |
| Cp,gas | 1054.23 | J/mol×K | 1196.59 | Joback Calculated Property |
| Cp,gas | 1059.22 | J/mol×K | 1236.30 | Joback Calculated Property |
| η | [0.0000317; 0.0002512] | Pa×s | [630.05; 998.02] |
|
| η | 0.0002512 | Pa×s | 630.05 | Joback Calculated Property |
| η | 0.0001527 | Pa×s | 691.38 | Joback Calculated Property |
| η | 0.0001007 | Pa×s | 752.71 | Joback Calculated Property |
| η | 0.0000707 | Pa×s | 814.04 | Joback Calculated Property |
| η | 0.0000521 | Pa×s | 875.36 | Joback Calculated Property |
| η | 0.0000400 | Pa×s | 936.69 | Joback Calculated Property |
| η | 0.0000317 | Pa×s | 998.02 | Joback Calculated Property |
Similar Compounds
Sources
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