![2,12-Dichloro-7,7-diethyl-6H,14H-dibenzo[f,i][1,5]dioxecine-6,8(7H)-dione](/cid/57-109-8/2-12-Dichloro-7-7-diethyl-6H-14H-dibenzo-f-i-1-5-dioxecine-6-8-7H-dione.png "2,12-Dichloro-7,7-diethyl-6H,14H-dibenzo[f,i][1,5]dioxecine-6,8(7H)-dione")
- InChI
- InChI=1S/C20H18Cl2O4/c1-3-20(4-2)18(23)25-16-7-5-14(21)10-12(16)9-13-11-15(22)6-8-17(13)26-19(20)24/h5-8,10-11H,3-4,9H2,1-2H3
- InChI Key
- ZVJLBBCJQDYEHT-UHFFFAOYSA-N
- Formula
- C20H18Cl2O4
- SMILES
-
CCC1(CC)C(=O)Oc2ccc(Cl)cc2Cc2c
c(Cl)ccc2OC1=O - Molecular Weight1
- 393.26
- 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 | 0.7083 | Relay (1.0) Calculated Property | |
| ΔfG° | -118.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -575.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.215 | Crippen Calculated Property | |
| McVol | 273.640 | ml/mol | McGowan Calculated Property |
| Pc | 1877.28 | kPa | Joback Calculated Property |
| Inp | [2808.00; 2808.00] |
|
|
| Inp | 2808.00 | NIST | |
| Inp | 2808.00 | NIST | |
| Tboil | 714.89 | K | Relay (1.0) Calculated Property |
| Tc | 1003.05 | K | Relay (1.0) Calculated Property |
| Tfus | 437.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.933 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [853.64; 945.82] | J/mol×K | [1014.47; 1287.50] |
|
| Cp,gas | 853.64 | J/mol×K | 1014.47 | Joback Calculated Property |
| Cp,gas | 870.26 | J/mol×K | 1059.97 | Joback Calculated Property |
| Cp,gas | 886.18 | J/mol×K | 1105.48 | Joback Calculated Property |
| Cp,gas | 901.56 | J/mol×K | 1150.98 | Joback Calculated Property |
| Cp,gas | 916.52 | J/mol×K | 1196.49 | Joback Calculated Property |
| Cp,gas | 931.23 | J/mol×K | 1241.99 | Joback Calculated Property |
| Cp,gas | 945.82 | J/mol×K | 1287.50 | Joback Calculated Property |
Similar Compounds
Sources
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