- InChI
- InChI=1S/C8H14Cl2O2/c1-2-3-4-7(10)5-8(11)12-6-9/h7H,2-6H2,1H3
- InChI Key
- HJUPGERNLBGVLC-UHFFFAOYSA-N
- Formula
- C8H14Cl2O2
- SMILES
- CCCCC(Cl)CC(=O)OCCl
- Molecular Weight1
- 213.10
- CAS
- 80418-59-3
- Other Names
-
- 3-Chloroheptanoic acid, chloromethyl ester
- 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.
- 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 |
|---|---|---|---|
| ω | 0.5584 | Relay (1.0) Calculated Property | |
| ΔfG° | -243.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.914 | Crippen Calculated Property | |
| McVol | 155.500 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | [1313.00; 1348.00] |
|
|
| Inp | 1348.00 | NIST | |
| Inp | 1328.00 | NIST | |
| Inp | 1313.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Inp | 1348.00 | NIST | |
| I | [1854.00; 1894.00] |
|
|
| I | 1854.00 | NIST | |
| I | 1875.00 | NIST | |
| I | 1894.00 | NIST | |
| I | 1894.00 | NIST | |
| Tboil | 498.43 | K | Relay (1.0) Calculated Property |
| Tc | 697.92 | K | Relay (1.0) Calculated Property |
| Tfus | 234.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.552 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.71; 396.95] | J/mol×K | [533.15; 722.96] |
|
| Cp,gas | 334.71 | J/mol×K | 533.15 | Joback Calculated Property |
| Cp,gas | 346.37 | J/mol×K | 564.79 | Joback Calculated Property |
| Cp,gas | 357.50 | J/mol×K | 596.42 | Joback Calculated Property |
| Cp,gas | 368.12 | J/mol×K | 628.06 | Joback Calculated Property |
| Cp,gas | 378.23 | J/mol×K | 659.69 | Joback Calculated Property |
| Cp,gas | 387.84 | J/mol×K | 691.33 | Joback Calculated Property |
| Cp,gas | 396.95 | J/mol×K | 722.96 | Joback Calculated Property |
| η | [0.0002408; 0.0035993] | Pa×s | [296.92; 533.15] |
|
| η | 0.0035993 | Pa×s | 296.92 | Joback Calculated Property |
| η | 0.0017614 | Pa×s | 336.29 | Joback Calculated Property |
| η | 0.0010012 | Pa×s | 375.66 | Joback Calculated Property |
| η | 0.0006335 | Pa×s | 415.03 | Joback Calculated Property |
| η | 0.0004339 | Pa×s | 454.41 | Joback Calculated Property |
| η | 0.0003157 | Pa×s | 493.78 | Joback Calculated Property |
| η | 0.0002408 | Pa×s | 533.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloromethyl 3-chloroheptanoate.
Sources
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