- InChI
- InChI=1S/C8H14Cl2O2/c1-6(2)3-8(11)12-5-7(10)4-9/h6-7H,3-5H2,1-2H3
- InChI Key
- PFULRUXYGVMVTG-UHFFFAOYSA-N
- Formula
- C8H14Cl2O2
- SMILES
- CC(C)CC(=O)OCC(Cl)CCl
- Molecular Weight1
- 213.10
- Other Names
-
- 1-Propanol, 2,3-dichloro, 3-methylbutanoate
- 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 | 0.5353 | Relay (1.0) Calculated Property | |
| ΔfG° | -246.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -603.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.79 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.422 | Crippen Calculated Property | |
| McVol | 155.500 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | [1271.00; 1271.00] |
|
|
| Inp | 1271.00 | NIST | |
| Inp | 1271.00 | NIST | |
| Tboil | 466.80 | K | Relay (1.0) Calculated Property |
| Tc | 692.67 | K | Relay (1.0) Calculated Property |
| Tfus | 253.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.551 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.03; 398.67] | J/mol×K | [532.71; 726.47] |
|
| Cp,gas | 335.03 | J/mol×K | 532.71 | Joback Calculated Property |
| Cp,gas | 347.00 | J/mol×K | 565.00 | Joback Calculated Property |
| Cp,gas | 358.41 | J/mol×K | 597.30 | Joback Calculated Property |
| Cp,gas | 369.28 | J/mol×K | 629.59 | Joback Calculated Property |
| Cp,gas | 379.60 | J/mol×K | 661.88 | Joback Calculated Property |
| Cp,gas | 389.40 | J/mol×K | 694.18 | Joback Calculated Property |
| Cp,gas | 398.67 | J/mol×K | 726.47 | Joback Calculated Property |
| η | [0.0002267; 0.0049812] | Pa×s | [281.92; 532.71] |
|
| η | 0.0049812 | Pa×s | 281.92 | Joback Calculated Property |
| η | 0.0021345 | Pa×s | 323.72 | Joback Calculated Property |
| η | 0.0011103 | Pa×s | 365.52 | Joback Calculated Property |
| η | 0.0006604 | Pa×s | 407.32 | Joback Calculated Property |
| η | 0.0004327 | Pa×s | 449.11 | Joback Calculated Property |
| η | 0.0003047 | Pa×s | 490.91 | Joback Calculated Property |
| η | 0.0002267 | Pa×s | 532.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dichloropropyl isopentanoate.
Sources
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