- InChI
- InChI=1S/C11H20Cl2O2/c1-3-4-5-6-7-8-10(14)15-11(2,13)9-12/h3-9H2,1-2H3
- InChI Key
- KRSMHCZRTSQGKM-UHFFFAOYSA-N
- Formula
- C11H20Cl2O2
- SMILES
- CCCCCCCC(=O)OC(C)(Cl)CCl
- Molecular Weight1
- 255.18
- 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 | 0.6505 | Relay (1.0) Calculated Property | |
| ΔfG° | -213.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -687.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.084 | Crippen Calculated Property | |
| McVol | 197.770 | ml/mol | McGowan Calculated Property |
| Pc | 1918.62 | kPa | Joback Calculated Property |
| Inp | [1611.00; 1611.00] |
|
|
| Inp | 1611.00 | NIST | |
| Inp | 1611.00 | NIST | |
| Tboil | 528.81 | K | Relay (1.0) Calculated Property |
| Tc | 729.61 | K | Relay (1.0) Calculated Property |
| Tfus | 240.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.737 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.60; 554.82] | J/mol×K | [599.00; 788.73] |
|
| Cp,gas | 479.60 | J/mol×K | 599.00 | Joback Calculated Property |
| Cp,gas | 493.95 | J/mol×K | 630.62 | Joback Calculated Property |
| Cp,gas | 507.54 | J/mol×K | 662.24 | Joback Calculated Property |
| Cp,gas | 520.40 | J/mol×K | 693.87 | Joback Calculated Property |
| Cp,gas | 532.54 | J/mol×K | 725.49 | Joback Calculated Property |
| Cp,gas | 544.01 | J/mol×K | 757.11 | Joback Calculated Property |
| Cp,gas | 554.82 | J/mol×K | 788.73 | Joback Calculated Property |
| η | [0.0001646; 0.0026101] | Pa×s | [348.15; 599.00] |
|
| η | 0.0026101 | Pa×s | 348.15 | Joback Calculated Property |
| η | 0.0012864 | Pa×s | 389.96 | Joback Calculated Property |
| η | 0.0007271 | Pa×s | 431.77 | Joback Calculated Property |
| η | 0.0004545 | Pa×s | 473.57 | Joback Calculated Property |
| η | 0.0003066 | Pa×s | 515.38 | Joback Calculated Property |
| η | 0.0002195 | Pa×s | 557.19 | Joback Calculated Property |
| η | 0.0001646 | Pa×s | 599.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Dichloroisopropyl octanoate.
Sources
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