- InChI
- InChI=1S/C12H22Cl2O2/c1-3-4-5-6-7-8-9-11(15)16-12(2,14)10-13/h3-10H2,1-2H3
- InChI Key
- PQYSXGKADZLVDO-UHFFFAOYSA-N
- Formula
- C12H22Cl2O2
- SMILES
- CCCCCCCCC(=O)OC(C)(Cl)CCl
- Molecular Weight1
- 269.21
- 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 | 0.6887 | Relay (... Calculated Property | |
| ΔfG° | -204.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.97 | kJ/mol | Relay (... Calculated Property |
| IE | 10.11 | eV | Relay (... Calculated Property |
| log10WS | -5.26 | Relay (... Calculated Property | |
| logPoct/wat | 4.474 | Crippen Calculated Property | |
| McVol | 211.860 | ml/mol | McGowan Calculated Property |
| Pc | 1766.90 | kPa | Joback Calculated Property |
| Inp | [1710.00; 1710.00] |
|
|
| Inp | 1710.00 | NIST | |
| Inp | 1710.00 | NIST | |
| Tboil | 540.99 | K | Relay (... Calculated Property |
| Tc | 742.32 | K | Relay (... Calculated Property |
| Tfus | 248.93 | K | Relay (... Calculated Property |
| Vc | 0.792 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [530.06; 608.27] | J/mol×K | [621.88; 809.59] |
|
| Cp,gas | 530.06 | J/mol×K | 621.88 | Joback Calculated Property |
| Cp,gas | 544.97 | J/mol×K | 653.17 | Joback Calculated Property |
| Cp,gas | 559.09 | J/mol×K | 684.45 | Joback Calculated Property |
| Cp,gas | 572.45 | J/mol×K | 715.74 | Joback Calculated Property |
| Cp,gas | 585.08 | J/mol×K | 747.02 | Joback Calculated Property |
| Cp,gas | 597.01 | J/mol×K | 778.31 | Joback Calculated Property |
| Cp,gas | 608.27 | J/mol×K | 809.59 | Joback Calculated Property |
| η | [0.0001438; 0.0023843] | Pa×s | [359.42; 621.88] |
|
| η | 0.0023843 | Pa×s | 359.42 | Joback Calculated Property |
| η | 0.0011582 | Pa×s | 403.16 | Joback Calculated Property |
| η | 0.0006480 | Pa×s | 446.91 | Joback Calculated Property |
| η | 0.0004021 | Pa×s | 490.65 | Joback Calculated Property |
| η | 0.0002698 | Pa×s | 534.39 | Joback Calculated Property |
| η | 0.0001923 | Pa×s | 578.14 | Joback Calculated Property |
| η | 0.0001438 | Pa×s | 621.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dichloroisopropyl nonanoate.
Sources
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