- InChI
- InChI=1S/C9H15ClO2/c1-3-5-8(2)12-9(11)6-4-7-10/h3,8H,1,4-7H2,2H3
- InChI Key
- KQZAXWWCVYQANZ-UHFFFAOYSA-N
- Formula
- C9H15ClO2
- SMILES
- C=CCC(C)OC(=O)CCCCl
- 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 | 0.5123 | Relay (1.0) Calculated Property | |
| ΔfG° | -135.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.513 | Crippen Calculated Property | |
| McVol | 153.050 | ml/mol | McGowan Calculated Property |
| Pc | 2443.48 | kPa | Joback Calculated Property |
| Inp | [1205.00; 1232.00] |
|
|
| Inp | 1220.00 | NIST | |
| Inp | 1205.00 | NIST | |
| Inp | 1227.00 | NIST | |
| Inp | 1232.00 | NIST | |
| I | [1730.00; 1748.00] |
|
|
| I | 1730.00 | NIST | |
| I | 1748.00 | NIST | |
| Tboil | 470.28 | K | Relay (1.0) Calculated Property |
| Tc | 671.10 | K | Relay (1.0) Calculated Property |
| Tfus | 208.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.536 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.91; 400.89] | J/mol×K | [515.28; 701.54] |
|
| Cp,gas | 333.91 | J/mol×K | 515.28 | Joback Calculated Property |
| Cp,gas | 346.42 | J/mol×K | 546.32 | Joback Calculated Property |
| Cp,gas | 358.38 | J/mol×K | 577.37 | Joback Calculated Property |
| Cp,gas | 369.80 | J/mol×K | 608.41 | Joback Calculated Property |
| Cp,gas | 380.68 | J/mol×K | 639.46 | Joback Calculated Property |
| Cp,gas | 391.04 | J/mol×K | 670.50 | Joback Calculated Property |
| Cp,gas | 400.89 | J/mol×K | 701.54 | Joback Calculated Property |
| η | [0.0002319; 0.0038090] | Pa×s | [276.51; 515.28] |
|
| η | 0.0038090 | Pa×s | 276.51 | Joback Calculated Property |
| η | 0.0017815 | Pa×s | 316.31 | Joback Calculated Property |
| η | 0.0009875 | Pa×s | 356.10 | Joback Calculated Property |
| η | 0.0006163 | Pa×s | 395.89 | Joback Calculated Property |
| η | 0.0004192 | Pa×s | 435.69 | Joback Calculated Property |
| η | 0.0003042 | Pa×s | 475.48 | Joback Calculated Property |
| η | 0.0002319 | Pa×s | 515.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-chloro, 1-methyl-3-butenyl ester.
Sources
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