- InChI
- InChI=1S/C10H17ClO2/c1-3-5-6-7-8-13-10(12)9(11)4-2/h5-6,9H,3-4,7-8H2,1-2H3/b6-5+
- InChI Key
- WKCOAKPPMVZACK-WAYWQWQTSA-N
- Formula
- C10H17ClO2
- SMILES
- CC/C=C\CCOC(=O)C(Cl)CC
- Molecular Weight1
- 204.70
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -528.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.98 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.903 | Crippen Calculated Property | |
| McVol | 167.140 | ml/mol | McGowan Calculated Property |
| Inp | [1297.00; 1323.00] |
|
|
| Inp | 1308.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Inp | 1319.00 | NIST | |
| Inp | 1323.00 | NIST | |
| I | [1710.00; 1808.00] |
|
|
| I | 1710.00 | NIST | |
| I | 1760.00 | NIST | |
| I | 1776.00 | NIST | |
| I | 1808.00 | NIST | |
| I | 1710.00 | NIST | |
| Tboil | 482.60 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.04; 521.57] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.62340e+01 | |||
| Coefficient B | 9.31740e-01 | |||
| Coefficient C | -5.33000e-04 | |||
| Coefficient D | 1.06600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 233.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 283.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 329.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 369.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 404.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 435.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 462.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 485.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 505.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 521.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0066323; 0.0001967] | Pa×s | [254.63; 499.53] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.21915e+01 | |||
| Coefficient B | 1.82714e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 254.63 | |||
| Temperature range, max. | 499.53 | |||
| η | 0.0066323 | Pa×s | 254.63 | Calculated Property |
| η | 0.0033174 | Pa×s | 281.84 | Calculated Property |
| η | 0.0018746 | Pa×s | 309.05 | Calculated Property |
| η | 0.0011618 | Pa×s | 336.26 | Calculated Property |
| η | 0.0007735 | Pa×s | 363.47 | Calculated Property |
| η | 0.0005450 | Pa×s | 390.68 | Calculated Property |
| η | 0.0004019 | Pa×s | 417.89 | Calculated Property |
| η | 0.0003077 | Pa×s | 445.11 | Calculated Property |
| η | 0.0002429 | Pa×s | 472.32 | Calculated Property |
| η | 0.0001967 | Pa×s | 499.53 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-chloro, (Z)-3-hexenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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