- InChI
- InChI=1S/C16H15Cl3O4/c1-3-5-11(4-2)22-14(20)6-7-15(21)23-16-12(18)8-10(17)9-13(16)19/h8-9,11H,4,6-7H2,1-2H3
- InChI Key
- UIHKBOOJCQTHMJ-UHFFFAOYSA-N
- Formula
- C16H15Cl3O4
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)Oc1c(Cl)
cc(Cl)cc1Cl - Molecular Weight1
- 377.65
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -135.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -441.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.70 | kJ/mol | Joback Calculated Property |
| log10WS | -5.96 | Crippen Calculated Property | |
| logPoct/wat | 4.678 | Crippen Calculated Property | |
| McVol | 255.540 | ml/mol | McGowan Calculated Property |
| Pc | 1859.51 | kPa | Joback Calculated Property |
| Inp | [2394.00; 2394.00] |
|
|
| Inp | 2394.00 | NIST | |
| Inp | 2394.00 | NIST | |
| Tboil | 880.53 | K | Joback Calculated Property |
| Tc | 1114.03 | K | Joback Calculated Property |
| Tfus | 659.24 | K | Joback Calculated Property |
| Vc | 0.975 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [666.69; 715.01] | J/mol×K | [880.53; 1114.03] |
|
| Cp,gas | 666.69 | J/mol×K | 880.53 | Joback Calculated Property |
| Cp,gas | 677.52 | J/mol×K | 919.45 | Joback Calculated Property |
| Cp,gas | 687.24 | J/mol×K | 958.36 | Joback Calculated Property |
| Cp,gas | 695.84 | J/mol×K | 997.28 | Joback Calculated Property |
| Cp,gas | 703.34 | J/mol×K | 1036.20 | Joback Calculated Property |
| Cp,gas | 709.73 | J/mol×K | 1075.11 | Joback Calculated Property |
| Cp,gas | 715.01 | J/mol×K | 1114.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 2,4,6-trichlorophenyl ester.
Sources
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