- InChI
- InChI=1S/C10H15ClO3/c1-2-3-4-5-8-14-10(13)7-6-9(11)12/h3-4H,2,5-8H2,1H3/b4-3-
- InChI Key
- NZPJHOGEVJAUIC-ARJAWSKDSA-N
- Formula
- C10H15ClO3
- SMILES
- CCC=CCCOC(=O)CCC(=O)Cl
- Molecular Weight1
- 218.68
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -641.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.40 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 2.432 | Crippen Calculated Property | |
| McVol | 168.710 | ml/mol | McGowan Calculated Property |
| Inp | 1478.00 | NIST | |
| Tboil | 517.97 | K | Relay (1.0) Calculated Property |
| Tfus | 232.73 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [234.28; 510.05] | 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 | 2.52750e+01 | |||
| Coefficient B | 8.97820e-01 | |||
| Coefficient C | -5.11100e-04 | |||
| Coefficient D | 9.80600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 234.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 283.28 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 326.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 365.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 399.63 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 429.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 454.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 476.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 494.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 510.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031115; 0.0002299] | Pa×s | [319.56; 540.71] |
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 | -1.21424e+01 | |||
| Coefficient B | 2.03551e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 319.56 | |||
| Temperature range, max. | 540.71 | |||
| η | 0.0031115 | Pa×s | 319.56 | Calculated Property |
| η | 0.0019744 | Pa×s | 344.13 | Calculated Property |
| η | 0.0013312 | Pa×s | 368.70 | Calculated Property |
| η | 0.0009428 | Pa×s | 393.28 | Calculated Property |
| η | 0.0006954 | Pa×s | 417.85 | Calculated Property |
| η | 0.0005306 | Pa×s | 442.42 | Calculated Property |
| η | 0.0004165 | Pa×s | 466.99 | Calculated Property |
| η | 0.0003349 | Pa×s | 491.57 | Calculated Property |
| η | 0.0002750 | Pa×s | 516.14 | Calculated Property |
| η | 0.0002299 | Pa×s | 540.71 | Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, monochloride cis-hex-3-enyl 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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