- InChI
- InChI=1S/C8H13ClO2/c1-2-3-7-11-8(10)5-4-6-9/h2H,1,3-7H2
- InChI Key
- BRFXAUYDTUPHNQ-UHFFFAOYSA-N
- Formula
- C8H13ClO2
- SMILES
- C=CCCOC(=O)CCCCl
- Molecular Weight1
- 176.64
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -141.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -343.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.27 | kJ/mol | Joback Calculated Property |
| log10WS | -2.04 | Crippen Calculated Property | |
| logPoct/wat | 2.125 | Crippen Calculated Property | |
| McVol | 138.960 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Inp | [1171.00; 1200.00] |
|
|
| Inp | 1187.00 | NIST | |
| Inp | 1171.00 | NIST | |
| Inp | 1193.00 | NIST | |
| Inp | 1200.00 | NIST | |
| Inp | 1187.00 | NIST | |
| I | [1749.00; 1797.00] |
|
|
| I | 1749.00 | NIST | |
| I | 1765.00 | NIST | |
| I | 1797.00 | NIST | |
| Tboil | 492.84 | K | Joback Calculated Property |
| Tc | 677.25 | K | Joback Calculated Property |
| Tfus | 280.24 | K | Joback Calculated Property |
| Vc | 0.537 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.99; 350.35] | J/mol×K | [492.84; 677.25] |
|
| Cp,gas | 289.99 | J/mol×K | 492.84 | Joback Calculated Property |
| Cp,gas | 301.21 | J/mol×K | 523.58 | Joback Calculated Property |
| Cp,gas | 311.96 | J/mol×K | 554.31 | Joback Calculated Property |
| Cp,gas | 322.24 | J/mol×K | 585.05 | Joback Calculated Property |
| Cp,gas | 332.06 | J/mol×K | 615.78 | Joback Calculated Property |
| Cp,gas | 341.43 | J/mol×K | 646.52 | Joback Calculated Property |
| Cp,gas | 350.35 | J/mol×K | 677.25 | Joback Calculated Property |
| η | [0.0002658; 0.0028366] | Pa×s | [280.24; 492.84] |
|
| η | 0.0028366 | Pa×s | 280.24 | Joback Calculated Property |
| η | 0.0015319 | Pa×s | 315.67 | Joback Calculated Property |
| η | 0.0009369 | Pa×s | 351.11 | Joback Calculated Property |
| η | 0.0006270 | Pa×s | 386.54 | Joback Calculated Property |
| η | 0.0004489 | Pa×s | 421.97 | Joback Calculated Property |
| η | 0.0003385 | Pa×s | 457.41 | Joback Calculated Property |
| η | 0.0002658 | Pa×s | 492.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 4-chloro, 3-butenyl ester.
Sources
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