- InChI
- InChI=1S/C17H19ClO5/c1-4-6-13(5-2)22-16(19)9-10-17(20)23-14-8-7-12(18)11-15(14)21-3/h7-8,11,13H,5,9-10H2,1-3H3
- InChI Key
- RQBDZPDUSMKHGV-UHFFFAOYSA-N
- Formula
- C17H19ClO5
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)Oc1ccc(C
l)cc1OC - Molecular Weight1
- 338.78
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7724 | Relay (1.0) Calculated Property | |
| ΔfG° | -199.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -653.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.379 | Crippen Calculated Property | |
| McVol | 251.020 | ml/mol | McGowan Calculated Property |
| Pc | 1821.61 | kPa | Joback Calculated Property |
| Inp | [2408.00; 2408.00] |
|
|
| Inp | 2408.00 | NIST | |
| Inp | 2408.00 | NIST | |
| Tboil | 622.03 | K | Relay (1.0) Calculated Property |
| Tc | 844.03 | K | Relay (1.0) Calculated Property |
| Tfus | 344.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.882 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [706.33; 767.05] | J/mol×K | [845.99; 1068.68] |
|
| Cp,gas | 706.33 | J/mol×K | 845.99 | Joback Calculated Property |
| Cp,gas | 719.47 | J/mol×K | 883.11 | Joback Calculated Property |
| Cp,gas | 731.41 | J/mol×K | 920.22 | Joback Calculated Property |
| Cp,gas | 742.15 | J/mol×K | 957.34 | Joback Calculated Property |
| Cp,gas | 751.67 | J/mol×K | 994.45 | Joback Calculated Property |
| Cp,gas | 759.98 | J/mol×K | 1031.57 | Joback Calculated Property |
| Cp,gas | 767.05 | J/mol×K | 1068.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 4-chloro-2-methoxyphenyl ester.
Sources
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