- InChI
- InChI=1S/C16H16Cl2O4/c1-3-5-13(4-2)21-15(19)6-7-16(20)22-14-9-11(17)8-12(18)10-14/h8-10,13H,4,6-7H2,1-2H3
- InChI Key
- DPYAWNKANNYCOB-UHFFFAOYSA-N
- Formula
- C16H16Cl2O4
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)Oc1cc(Cl
)cc(Cl)c1 - Molecular Weight1
- 343.20
- 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° | -114.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -414.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.66 | kJ/mol | Joback Calculated Property |
| log10WS | -5.27 | Crippen Calculated Property | |
| logPoct/wat | 4.024 | Crippen Calculated Property | |
| McVol | 243.300 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | [2327.00; 2327.00] |
|
|
| Inp | 2327.00 | NIST | |
| Inp | 2327.00 | NIST | |
| Tboil | 838.12 | K | Joback Calculated Property |
| Tc | 1068.04 | K | Joback Calculated Property |
| Tfus | 616.80 | K | Joback Calculated Property |
| Vc | 0.925 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [647.19; 703.91] | J/mol×K | [838.12; 1068.04] |
|
| Cp,gas | 647.19 | J/mol×K | 838.12 | Joback Calculated Property |
| Cp,gas | 659.36 | J/mol×K | 876.44 | Joback Calculated Property |
| Cp,gas | 670.44 | J/mol×K | 914.76 | Joback Calculated Property |
| Cp,gas | 680.42 | J/mol×K | 953.08 | Joback Calculated Property |
| Cp,gas | 689.32 | J/mol×K | 991.40 | Joback Calculated Property |
| Cp,gas | 697.15 | J/mol×K | 1029.72 | Joback Calculated Property |
| Cp,gas | 703.91 | J/mol×K | 1068.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 3,5-dichlorophenyl ester.
Sources
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