- InChI
- InChI=1S/C15H17ClO4/c1-3-4-9-19-14(17)7-8-15(18)20-12-5-6-13(16)11(2)10-12/h3,5-6,10H,1,4,7-9H2,2H3
- InChI Key
- NCHKAOKOADHIRM-UHFFFAOYSA-N
- Formula
- C15H17ClO4
- SMILES
-
C=CCCOC(=O)CCC(=O)Oc1ccc(Cl)c(
C)c1 - Molecular Weight1
- 296.75
- 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.
- 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° | -223.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.17 | Crippen Calculated Property | |
| logPoct/wat | 3.453 | Crippen Calculated Property | |
| McVol | 221.270 | ml/mol | McGowan Calculated Property |
| Pc | 1957.87 | kPa | Joback Calculated Property |
| Inp | [2162.00; 2162.00] |
|
|
| Inp | 2162.00 | NIST | |
| Inp | 2162.00 | NIST | |
| Tboil | 765.93 | K | Joback Calculated Property |
| Tc | 976.90 | K | Joback Calculated Property |
| Tfus | 482.75 | K | Joback Calculated Property |
| Vc | 0.846 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.68; 658.25] | J/mol×K | [765.93; 976.90] |
|
| Cp,gas | 593.68 | J/mol×K | 765.93 | Joback Calculated Property |
| Cp,gas | 606.71 | J/mol×K | 801.09 | Joback Calculated Property |
| Cp,gas | 618.82 | J/mol×K | 836.25 | Joback Calculated Property |
| Cp,gas | 630.02 | J/mol×K | 871.41 | Joback Calculated Property |
| Cp,gas | 640.31 | J/mol×K | 906.57 | Joback Calculated Property |
| Cp,gas | 649.72 | J/mol×K | 941.73 | Joback Calculated Property |
| Cp,gas | 658.25 | J/mol×K | 976.90 | Joback Calculated Property |
| η | [0.0001009; 0.0006825] | Pa×s | [482.75; 765.93] |
|
| η | 0.0006825 | Pa×s | 482.75 | Joback Calculated Property |
| η | 0.0004306 | Pa×s | 529.95 | Joback Calculated Property |
| η | 0.0002929 | Pa×s | 577.14 | Joback Calculated Property |
| η | 0.0002112 | Pa×s | 624.34 | Joback Calculated Property |
| η | 0.0001595 | Pa×s | 671.54 | Joback Calculated Property |
| η | 0.0001249 | Pa×s | 718.73 | Joback Calculated Property |
| η | 0.0001009 | Pa×s | 765.93 | Joback Calculated Property |
Similar Compounds
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Sources
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