- InChI
- InChI=1S/C9H15ClO2/c1-2-3-4-5-8-12-9(11)6-7-10/h3-4H,2,5-8H2,1H3/b4-3-
- InChI Key
- RCTBGSWMRQJSLJ-ARJAWSKDSA-N
- Formula
- C9H15ClO2
- SMILES
- CCC=CCCOC(=O)CCCl
- Molecular Weight1
- 190.67
- 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 | 0.5146 | Relay (1.0) Calculated Property | |
| ΔfG° | -140.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.515 | Crippen Calculated Property | |
| McVol | 153.050 | ml/mol | McGowan Calculated Property |
| Pc | 2448.32 | kPa | Joback Calculated Property |
| Inp | [1276.00; 1298.00] |
|
|
| Inp | 1279.00 | NIST | |
| Inp | 1276.00 | NIST | |
| Inp | 1295.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1289.00 | NIST | |
| Inp | 1279.00 | NIST | |
| I | [1779.00; 1790.00] |
|
|
| I | 1780.00 | NIST | |
| I | 1779.00 | NIST | |
| I | 1790.00 | NIST | |
| Tboil | 495.71 | K | Relay (1.0) Calculated Property |
| Tc | 685.02 | K | Relay (1.0) Calculated Property |
| Tfus | 207.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.544 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.06; 400.04] | J/mol×K | [523.20; 710.07] |
|
| Cp,gas | 334.06 | J/mol×K | 523.20 | Joback Calculated Property |
| Cp,gas | 346.42 | J/mol×K | 554.34 | Joback Calculated Property |
| Cp,gas | 358.22 | J/mol×K | 585.49 | Joback Calculated Property |
| Cp,gas | 369.46 | J/mol×K | 616.63 | Joback Calculated Property |
| Cp,gas | 380.17 | J/mol×K | 647.78 | Joback Calculated Property |
| Cp,gas | 390.36 | J/mol×K | 678.92 | Joback Calculated Property |
| Cp,gas | 400.04 | J/mol×K | 710.07 | Joback Calculated Property |
| η | [0.0002034; 0.0027621] | Pa×s | [288.19; 523.20] |
|
| η | 0.0027621 | Pa×s | 288.19 | Joback Calculated Property |
| η | 0.0013787 | Pa×s | 327.36 | Joback Calculated Property |
| η | 0.0007983 | Pa×s | 366.53 | Joback Calculated Property |
| η | 0.0005137 | Pa×s | 405.70 | Joback Calculated Property |
| η | 0.0003572 | Pa×s | 444.86 | Joback Calculated Property |
| η | 0.0002635 | Pa×s | 484.03 | Joback Calculated Property |
| η | 0.0002034 | Pa×s | 523.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-chloro, (Z)-3-hexenyl ester.
Sources
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