- InChI
- InChI=1S/C23H31Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-15-29-21(27)13-12-14-22(28)30-20-17-18(24)16-19(25)23(20)26/h10-11,16-17H,2-9,12-15H2,1H3/b11-10+
- InChI Key
- DTMMDEHJTZDINC-ZHACJKMWSA-N
- Formula
- C23H31Cl3O4
- SMILES
-
CCCCCCCCCC=CCOC(=O)CCCC(=O)Oc1
cc(Cl)cc(Cl)c1Cl - Molecular Weight1
- 477.85
- 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 | 1.0899 | Relay (... Calculated Property | |
| ΔfG° | -197.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -898.22 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 66.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.00 | kJ/mol | Relay (... Calculated Property |
| IE | 8.62 | eV | Relay (... Calculated Property |
| log10WS | -7.96 | Relay (... Calculated Property | |
| logPoct/wat | 7.963 | Crippen Calculated Property | |
| McVol | 358.470 | ml/mol | McGowan Calculated Property |
| Pc | 1035.90 | kPa | Joback Calculated Property |
| Inp | [3251.00; 3251.00] |
|
|
| Inp | 3251.00 | NIST | |
| Inp | 3251.00 | NIST | |
| Tboil | 684.22 | K | Relay (... Calculated Property |
| Tc | 919.71 | K | Relay (... Calculated Property |
| Tfus | 308.71 | K | Relay (... Calculated Property |
| Vc | 1.293 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1100.85; 1160.22] | J/mol×K | [1036.29; 1268.71] |
|
| Cp,gas | 1100.85 | J/mol×K | 1036.29 | Joback Calculated Property |
| Cp,gas | 1113.76 | J/mol×K | 1075.03 | Joback Calculated Property |
| Cp,gas | 1125.39 | J/mol×K | 1113.76 | Joback Calculated Property |
| Cp,gas | 1135.80 | J/mol×K | 1152.50 | Joback Calculated Property |
| Cp,gas | 1145.03 | J/mol×K | 1191.24 | Joback Calculated Property |
| Cp,gas | 1153.15 | J/mol×K | 1229.97 | Joback Calculated Property |
| Cp,gas | 1160.22 | J/mol×K | 1268.71 | Joback Calculated Property |
| η | [0.0000197; 0.0001644] | Pa×s | [641.95; 1036.29] |
|
| η | 0.0001644 | Pa×s | 641.95 | Joback Calculated Property |
| η | 0.0000979 | Pa×s | 707.67 | Joback Calculated Property |
| η | 0.0000637 | Pa×s | 773.40 | Joback Calculated Property |
| η | 0.0000443 | Pa×s | 839.12 | Joback Calculated Property |
| η | 0.0000325 | Pa×s | 904.84 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 970.57 | Joback Calculated Property |
| η | 0.0000197 | Pa×s | 1036.29 | Joback Calculated Property |
Similar Compounds
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Sources
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