- InChI
- InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3
- InChI Key
- DTDSAWVUFPGDMX-UHFFFAOYSA-N
- Formula
- C21H24Cl2O4
- SMILES
-
CCC(C)(C)C(=O)OC1=C(c2ccc(Cl)c
c2Cl)C(=O)OC12CCCCC2 - Molecular Weight1
- 411.32
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.7353 | Relay (1.0) Calculated Property | |
| ΔfG° | -158.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.944 | Crippen Calculated Property | |
| McVol | 296.330 | ml/mol | McGowan Calculated Property |
| Pc | 1636.45 | kPa | Joback Calculated Property |
| Inp | [2690.00; 2690.00] |
|
|
| Inp | 2690.00 | NIST | |
| Inp | 2690.00 | NIST | |
| Tboil | 681.43 | K | Relay (1.0) Calculated Property |
| Tc | 961.17 | K | Relay (1.0) Calculated Property |
| Tfus | 363.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.064 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [953.89; 1071.68] | J/mol×K | [1003.80; 1263.89] |
|
| Cp,gas | 953.89 | J/mol×K | 1003.80 | Joback Calculated Property |
| Cp,gas | 973.06 | J/mol×K | 1047.15 | Joback Calculated Property |
| Cp,gas | 992.10 | J/mol×K | 1090.50 | Joback Calculated Property |
| Cp,gas | 1011.25 | J/mol×K | 1133.84 | Joback Calculated Property |
| Cp,gas | 1030.74 | J/mol×K | 1177.19 | Joback Calculated Property |
| Cp,gas | 1050.81 | J/mol×K | 1220.54 | Joback Calculated Property |
| Cp,gas | 1071.68 | J/mol×K | 1263.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Spirodiclofen.
Sources
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