- InChI
- InChI=1S/C16H13Cl5O4/c1-3-5-8(4-2)24-9(22)6-7-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h8H,4,6-7H2,1-2H3
- InChI Key
- GHGGYBBXDSIBDS-UHFFFAOYSA-N
- Formula
- C16H13Cl5O4
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)Oc1c(Cl)
c(Cl)c(Cl)c(Cl)c1Cl - Molecular Weight1
- 446.54
- 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° | -179.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -495.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.80 | kJ/mol | Joback Calculated Property |
| log10WS | -7.33 | Crippen Calculated Property | |
| logPoct/wat | 5.984 | Crippen Calculated Property | |
| McVol | 280.020 | ml/mol | McGowan Calculated Property |
| Pc | 1703.31 | kPa | Joback Calculated Property |
| Inp | [2796.00; 2796.00] |
|
|
| Inp | 2796.00 | NIST | |
| Inp | 2796.00 | NIST | |
| Tboil | 965.35 | K | Joback Calculated Property |
| Tc | 1206.56 | K | Joback Calculated Property |
| Tfus | 744.12 | K | Joback Calculated Property |
| Vc | 1.073 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [699.82; 730.31] | J/mol×K | [965.35; 1206.56] |
|
| Cp,gas | 699.82 | J/mol×K | 965.35 | Joback Calculated Property |
| Cp,gas | 707.91 | J/mol×K | 1005.55 | Joback Calculated Property |
| Cp,gas | 714.81 | J/mol×K | 1045.75 | Joback Calculated Property |
| Cp,gas | 720.51 | J/mol×K | 1085.95 | Joback Calculated Property |
| Cp,gas | 725.00 | J/mol×K | 1126.15 | Joback Calculated Property |
| Cp,gas | 728.27 | J/mol×K | 1166.35 | Joback Calculated Property |
| Cp,gas | 730.31 | J/mol×K | 1206.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl pentachlorophenyl ester.
Sources
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