- InChI
- InChI=1S/C20H20O4/c1-3-7-17(4-2)23-19(21)12-13-20(22)24-18-11-10-15-8-5-6-9-16(15)14-18/h5-6,8-11,14,17H,4,12-13H2,1-2H3
- InChI Key
- CHSFISYWMDEMKO-UHFFFAOYSA-N
- Formula
- C20H20O4
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)Oc1ccc2c
cccc2c1 - Molecular Weight1
- 324.37
- 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 | 0.7560 | Relay (1.0) Calculated Property | |
| ΔfG° | 59.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.870 | Crippen Calculated Property | |
| McVol | 255.720 | ml/mol | McGowan Calculated Property |
| Pc | 1862.72 | kPa | Joback Calculated Property |
| Inp | [2671.00; 2671.00] |
|
|
| Inp | 2671.00 | NIST | |
| Inp | 2671.00 | NIST | |
| Tboil | 668.29 | K | Relay (1.0) Calculated Property |
| Tc | 917.14 | K | Relay (1.0) Calculated Property |
| Tfus | 365.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.898 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [750.34; 818.31] | J/mol×K | [868.78; 1101.37] |
|
| Cp,gas | 750.34 | J/mol×K | 868.78 | Joback Calculated Property |
| Cp,gas | 764.36 | J/mol×K | 907.55 | Joback Calculated Property |
| Cp,gas | 777.23 | J/mol×K | 946.31 | Joback Calculated Property |
| Cp,gas | 789.00 | J/mol×K | 985.08 | Joback Calculated Property |
| Cp,gas | 799.73 | J/mol×K | 1023.84 | Joback Calculated Property |
| Cp,gas | 809.48 | J/mol×K | 1062.61 | Joback Calculated Property |
| Cp,gas | 818.31 | J/mol×K | 1101.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 2-naphthyl ester.
Sources
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