- InChI
- InChI=1S/C8H14Cl2O2/c9-6-4-2-1-3-5-8(11)12-7-10/h1-7H2
- InChI Key
- MWONBSQQAQAREF-UHFFFAOYSA-N
- Formula
- C8H14Cl2O2
- SMILES
- O=C(CCCCCCCl)OCCl
- Molecular Weight1
- 213.10
- CAS
- 80418-63-9
- Other Names
-
- 7-Chloroheptanoic acid, chloromethyl 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° | -241.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -484.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.33 | kJ/mol | Joback Calculated Property |
| log10WS | -2.84 | Crippen Calculated Property | |
| logPoct/wat | 2.915 | Crippen Calculated Property | |
| McVol | 155.500 | ml/mol | McGowan Calculated Property |
| Pc | 2465.36 | kPa | Joback Calculated Property |
| Inp | [1442.00; 1457.00] |
|
|
| Inp | 1457.00 | NIST | |
| Inp | 1442.00 | NIST | |
| Inp | 1443.00 | NIST | |
| Inp | 1452.00 | NIST | |
| I | [2045.00; 2105.00] |
|
|
| I | 2045.00 | NIST | |
| I | 2070.00 | NIST | |
| I | 2096.00 | NIST | |
| I | 2105.00 | NIST | |
| I | 2045.00 | NIST | |
| Tboil | 533.59 | K | Joback Calculated Property |
| Tc | 719.60 | K | Joback Calculated Property |
| Tfus | 311.92 | K | Joback Calculated Property |
| Vc | 0.606 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.38; 395.27] | J/mol×K | [533.59; 719.60] |
|
| Cp,gas | 334.38 | J/mol×K | 533.59 | Joback Calculated Property |
| Cp,gas | 345.75 | J/mol×K | 564.59 | Joback Calculated Property |
| Cp,gas | 356.61 | J/mol×K | 595.59 | Joback Calculated Property |
| Cp,gas | 366.99 | J/mol×K | 626.59 | Joback Calculated Property |
| Cp,gas | 376.89 | J/mol×K | 657.60 | Joback Calculated Property |
| Cp,gas | 386.31 | J/mol×K | 688.60 | Joback Calculated Property |
| Cp,gas | 395.27 | J/mol×K | 719.60 | Joback Calculated Property |
| η | [0.0002557; 0.0027181] | Pa×s | [311.92; 533.59] |
|
| η | 0.0027181 | Pa×s | 311.92 | Joback Calculated Property |
| η | 0.0014880 | Pa×s | 348.87 | Joback Calculated Property |
| η | 0.0009142 | Pa×s | 385.81 | Joback Calculated Property |
| η | 0.0006116 | Pa×s | 422.75 | Joback Calculated Property |
| η | 0.0004365 | Pa×s | 459.70 | Joback Calculated Property |
| η | 0.0003275 | Pa×s | 496.64 | Joback Calculated Property |
| η | 0.0002557 | Pa×s | 533.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloromethyl 7-chloroheptanoate.
Sources
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