- InChI
- InChI=1S/C21H27ClO4/c1-14(2)7-6-12-25-20(23)17-8-4-5-9-18(17)21(24)26-16-10-11-19(22)15(3)13-16/h4-5,10-11,13-14,17-18H,6-9,12H2,1-3H3
- InChI Key
- BQKFMTAKHDLQLJ-UHFFFAOYSA-N
- Formula
- C21H27ClO4
- SMILES
-
Cc1cc(OC(=O)C2CC=CCC2C(=O)OCCC
C(C)C)ccc1Cl - 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° | -216.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -682.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.66 | kJ/mol | Joback Calculated Property |
| log10WS | -5.86 | Crippen Calculated Property | |
| logPoct/wat | 5.116 | Crippen Calculated Property | |
| McVol | 294.950 | ml/mol | McGowan Calculated Property |
| Pc | 1411.18 | kPa | Joback Calculated Property |
| Inp | [2670.00; 2670.00] |
|
|
| Inp | 2670.00 | NIST | |
| Inp | 2670.00 | NIST | |
| Tboil | 920.13 | K | Joback Calculated Property |
| Tc | 1146.27 | K | Joback Calculated Property |
| Tfus | 541.03 | K | Joback Calculated Property |
| Vc | 1.113 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [932.69; 998.83] | J/mol×K | [920.13; 1146.27] |
|
| Cp,gas | 932.69 | J/mol×K | 920.13 | Joback Calculated Property |
| Cp,gas | 947.60 | J/mol×K | 957.82 | Joback Calculated Property |
| Cp,gas | 960.93 | J/mol×K | 995.51 | Joback Calculated Property |
| Cp,gas | 972.69 | J/mol×K | 1033.20 | Joback Calculated Property |
| Cp,gas | 982.91 | J/mol×K | 1070.89 | Joback Calculated Property |
| Cp,gas | 991.61 | J/mol×K | 1108.58 | Joback Calculated Property |
| Cp,gas | 998.83 | J/mol×K | 1146.27 | Joback Calculated Property |
| η | [0.0000563; 0.0005303] | Pa×s | [541.03; 920.13] |
|
| η | 0.0005303 | Pa×s | 541.03 | Joback Calculated Property |
| η | 0.0003001 | Pa×s | 604.21 | Joback Calculated Property |
| η | 0.0001892 | Pa×s | 667.40 | Joback Calculated Property |
| η | 0.0001292 | Pa×s | 730.58 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 793.76 | Joback Calculated Property |
| η | 0.0000713 | Pa×s | 856.95 | Joback Calculated Property |
| η | 0.0000563 | Pa×s | 920.13 | Joback Calculated Property |
Similar Compounds
Sources
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