- InChI
- InChI=1S/C9H15Cl3O2/c1-2-3-4-5-6-8(13)14-7-9(10,11)12/h2-7H2,1H3
- InChI Key
- LBQWQJOXEYEDAX-UHFFFAOYSA-N
- Formula
- C9H15Cl3O2
- SMILES
- CCCCCCC(=O)OCC(Cl)(Cl)Cl
- Molecular Weight1
- 261.57
- Other Names
-
- Heptanoic acid, 2,2,2-trichloroethyl ester
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | -241.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -529.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.64 | kJ/mol | Joback Calculated Property |
| log10WS | -4.01 | Crippen Calculated Property | |
| logPoct/wat | 3.870 | Crippen Calculated Property | |
| McVol | 181.830 | ml/mol | McGowan Calculated Property |
| Pc | 2208.29 | kPa | Joback Calculated Property |
| Inp | [1462.00; 1482.00] |
|
|
| Inp | 1478.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1477.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1479.00 | NIST | |
| Inp | 1462.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1462.00 | NIST | |
| I | [1832.00; 1898.00] |
|
|
| I | 1832.00 | NIST | |
| I | 1854.00 | NIST | |
| I | 1840.00 | NIST | |
| I | 1874.00 | NIST | |
| I | 1850.00 | NIST | |
| I | 1898.00 | NIST | |
| I | 1843.00 | NIST | |
| I | 1832.00 | NIST | |
| I | 1898.00 | NIST | |
| Tboil | 590.67 | K | Joback Calculated Property |
| Tc | 789.49 | K | Joback Calculated Property |
| Tfus | 355.53 | K | Joback Calculated Property |
| Vc | 0.700 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.97; 472.95] | J/mol×K | [590.67; 789.49] |
|
| Cp,gas | 409.97 | J/mol×K | 590.67 | Joback Calculated Property |
| Cp,gas | 422.15 | J/mol×K | 623.81 | Joback Calculated Property |
| Cp,gas | 433.62 | J/mol×K | 656.94 | Joback Calculated Property |
| Cp,gas | 444.40 | J/mol×K | 690.08 | Joback Calculated Property |
| Cp,gas | 454.53 | J/mol×K | 723.22 | Joback Calculated Property |
| Cp,gas | 464.04 | J/mol×K | 756.36 | Joback Calculated Property |
| Cp,gas | 472.95 | J/mol×K | 789.49 | Joback Calculated Property |
| η | [0.0001920; 0.0024677] | Pa×s | [355.53; 590.67] |
|
| η | 0.0024677 | Pa×s | 355.53 | Joback Calculated Property |
| η | 0.0013053 | Pa×s | 394.72 | Joback Calculated Property |
| η | 0.0007746 | Pa×s | 433.91 | Joback Calculated Property |
| η | 0.0005012 | Pa×s | 473.10 | Joback Calculated Property |
| η | 0.0003466 | Pa×s | 512.29 | Joback Calculated Property |
| η | 0.0002526 | Pa×s | 551.48 | Joback Calculated Property |
| η | 0.0001920 | Pa×s | 590.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloroethyl heptanoate.
Sources
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