- InChI
- InChI=1S/C12H14Cl2O3/c1-12(2,3)7-16-11(15)17-8-4-5-9(13)10(14)6-8/h4-6H,7H2,1-3H3
- InChI Key
- HJNFYEFJFLFVLX-UHFFFAOYSA-N
- Formula
- C12H14Cl2O3
- SMILES
-
CC(C)(C)COC(=O)Oc1ccc(Cl)c(Cl)
c1 - Molecular Weight1
- 277.14
- 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 | 0.6752 | Relay (... Calculated Property | |
| ΔfG° | -216.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -609.94 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.93 | kJ/mol | Relay (... Calculated Property |
| IE | 8.86 | eV | Relay (... Calculated Property |
| log10WS | -5.46 | Relay (... Calculated Property | |
| logPoct/wat | 4.555 | Crippen Calculated Property | |
| McVol | 193.970 | ml/mol | McGowan Calculated Property |
| Pc | 2278.41 | kPa | Joback Calculated Property |
| Inp | 1777.00 | NIST | |
| Tboil | 572.47 | K | Relay (... Calculated Property |
| Tc | 779.08 | K | Relay (... Calculated Property |
| Tfus | 358.82 | K | Relay (... Calculated Property |
| Vc | 0.707 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.15; 539.30] | J/mol×K | [680.94; 905.46] | 
|
| Cp,gas | 474.15 | J/mol×K | 680.94 | Joback Calculated Property |
| Cp,gas | 487.23 | J/mol×K | 718.36 | Joback Calculated Property |
| Cp,gas | 499.39 | J/mol×K | 755.78 | Joback Calculated Property |
| Cp,gas | 510.65 | J/mol×K | 793.20 | Joback Calculated Property |
| Cp,gas | 521.04 | J/mol×K | 830.62 | Joback Calculated Property |
| Cp,gas | 530.58 | J/mol×K | 868.04 | Joback Calculated Property |
| Cp,gas | 539.30 | J/mol×K | 905.46 | Joback Calculated Property |
| η | [0.0001056; 0.0008237] | Pa×s | [433.11; 680.94] |
|
| η | 0.0008237 | Pa×s | 433.11 | Joback Calculated Property |
| η | 0.0005039 | Pa×s | 474.42 | Joback Calculated Property |
| η | 0.0003335 | Pa×s | 515.72 | Joback Calculated Property |
| η | 0.0002347 | Pa×s | 557.02 | Joback Calculated Property |
| η | 0.0001733 | Pa×s | 598.33 | Joback Calculated Property |
| η | 0.0001331 | Pa×s | 639.63 | Joback Calculated Property |
| η | 0.0001056 | Pa×s | 680.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, neopentyl 3,4-dichlorophenyl ester.
Sources
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