- InChI
- InChI=1S/C17H19ClO4/c1-4-6-13(5-2)21-16(19)9-10-17(20)22-15-8-7-12(3)11-14(15)18/h7-8,11,13H,5,9-10H2,1-3H3
- InChI Key
- NJXCDZVKULALPB-UHFFFAOYSA-N
- Formula
- C17H19ClO4
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)Oc1ccc(C
)cc1Cl - Molecular Weight1
- 322.78
- 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° | -94.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -418.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.50 | kJ/mol | Joback Calculated Property |
| log10WS | -5.06 | Crippen Calculated Property | |
| logPoct/wat | 3.679 | Crippen Calculated Property | |
| McVol | 245.150 | ml/mol | McGowan Calculated Property |
| Pc | 1848.33 | kPa | Joback Calculated Property |
| Inp | [2304.00; 2304.00] |
|
|
| Inp | 2304.00 | NIST | |
| Inp | 2304.00 | NIST | |
| Tboil | 823.57 | K | Joback Calculated Property |
| Tc | 1047.79 | K | Joback Calculated Property |
| Tfus | 598.15 | K | Joback Calculated Property |
| Vc | 0.932 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [679.69; 745.12] | J/mol×K | [823.57; 1047.79] |
|
| Cp,gas | 679.69 | J/mol×K | 823.57 | Joback Calculated Property |
| Cp,gas | 693.37 | J/mol×K | 860.94 | Joback Calculated Property |
| Cp,gas | 705.93 | J/mol×K | 898.31 | Joback Calculated Property |
| Cp,gas | 717.38 | J/mol×K | 935.68 | Joback Calculated Property |
| Cp,gas | 727.72 | J/mol×K | 973.05 | Joback Calculated Property |
| Cp,gas | 736.96 | J/mol×K | 1010.42 | Joback Calculated Property |
| Cp,gas | 745.12 | J/mol×K | 1047.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 2-chloro-4-methylphenyl ester.
Sources
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