- InChI
- InChI=1S/C8H13ClO2/c1-2-3-5-8(10)11-7-4-6-9/h4,6H,2-3,5,7H2,1H3/b6-4+
- InChI Key
- OLCICKDOYCBKFY-GQCTYLIASA-N
- Formula
- C8H13ClO2
- SMILES
- CCCCC(=O)OCC=CCl
- Molecular Weight1
- 176.64
- 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 | 0.4935 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -452.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.472 | Crippen Calculated Property | |
| McVol | 138.960 | ml/mol | McGowan Calculated Property |
| Pc | 2698.60 | kPa | Joback Calculated Property |
| Inp | 1205.00 | NIST | |
| Tboil | 468.61 | K | Relay (1.0) Calculated Property |
| Tc | 648.47 | K | Relay (1.0) Calculated Property |
| Tfus | 200.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [290.11; 351.03] | J/mol×K | [500.32; 689.35] | 
|
| Cp,gas | 290.11 | J/mol×K | 500.32 | Joback Calculated Property |
| Cp,gas | 301.52 | J/mol×K | 531.83 | Joback Calculated Property |
| Cp,gas | 312.41 | J/mol×K | 563.33 | Joback Calculated Property |
| Cp,gas | 322.79 | J/mol×K | 594.84 | Joback Calculated Property |
| Cp,gas | 332.68 | J/mol×K | 626.34 | Joback Calculated Property |
| Cp,gas | 342.09 | J/mol×K | 657.85 | Joback Calculated Property |
| Cp,gas | 351.03 | J/mol×K | 689.35 | Joback Calculated Property |
| η | [0.0002205; 0.0028149] | Pa×s | [276.92; 500.32] |
|
| η | 0.0028149 | Pa×s | 276.92 | Joback Calculated Property |
| η | 0.0014317 | Pa×s | 314.15 | Joback Calculated Property |
| η | 0.0008404 | Pa×s | 351.39 | Joback Calculated Property |
| η | 0.0005463 | Pa×s | 388.62 | Joback Calculated Property |
| η | 0.0003829 | Pa×s | 425.85 | Joback Calculated Property |
| η | 0.0002842 | Pa×s | 463.09 | Joback Calculated Property |
| η | 0.0002205 | Pa×s | 500.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Valeric acid, 3-chloroprop-2-enyl ester.
Sources
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