- InChI
- InChI=1S/C8H14Cl2O2/c1-3-4-5-6-12-7(11)8(2,9)10/h3-6H2,1-2H3
- InChI Key
- ZCPOSLAFHCNHBE-UHFFFAOYSA-N
- Formula
- C8H14Cl2O2
- SMILES
- CCCCCOC(=O)C(C)(Cl)Cl
- Molecular Weight1
- 213.10
- CAS
- 17640-08-3
- Other Names
-
- Propanoic acid, 2,2-dichloro-, pentyl 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).
- 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 | 0.4873 | Relay (... Calculated Property | |
| ΔfG° | -238.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.80 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 20.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.26 | kJ/mol | Relay (... Calculated Property |
| IE | 10.32 | eV | Relay (... Calculated Property |
| log10WS | -3.51 | Relay (... Calculated Property | |
| logPoct/wat | 2.914 | Crippen Calculated Property | |
| McVol | 155.500 | ml/mol | McGowan Calculated Property |
| Pc | 2512.55 | kPa | Joback Calculated Property |
| Tboil | 477.01 | K | Relay (... Calculated Property |
| Tc | 671.57 | K | Relay (... Calculated Property |
| Tfus | 229.67 | K | Relay (... Calculated Property |
| Vc | 0.577 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.84; 401.29] | J/mol×K | [530.36; 727.45] | 
|
| Cp,gas | 337.84 | J/mol×K | 530.36 | Joback Calculated Property |
| Cp,gas | 350.00 | J/mol×K | 563.21 | Joback Calculated Property |
| Cp,gas | 361.50 | J/mol×K | 596.06 | Joback Calculated Property |
| Cp,gas | 372.35 | J/mol×K | 628.90 | Joback Calculated Property |
| Cp,gas | 382.59 | J/mol×K | 661.75 | Joback Calculated Property |
| Cp,gas | 392.23 | J/mol×K | 694.60 | Joback Calculated Property |
| Cp,gas | 401.29 | J/mol×K | 727.45 | Joback Calculated Property |
| η | [0.0002408; 0.0032784] | Pa×s | [314.34; 530.36] |
|
| η | 0.0032784 | Pa×s | 314.34 | Joback Calculated Property |
| η | 0.0016965 | Pa×s | 350.34 | Joback Calculated Property |
| η | 0.0009926 | Pa×s | 386.35 | Joback Calculated Property |
| η | 0.0006363 | Pa×s | 422.35 | Joback Calculated Property |
| η | 0.0004374 | Pa×s | 458.35 | Joback Calculated Property |
| η | 0.0003176 | Pa×s | 494.36 | Joback Calculated Property |
| η | 0.0002408 | Pa×s | 530.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propionic acid, 2,2-dichloro-, pentyl ester.
Sources
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