- InChI
- InChI=1S/C19H24O4/c1-4-10-16(5-2)22-18(20)13-14-19(21)23-17(6-3)15-11-8-7-9-12-15/h7-9,11-12,16-17H,5-6,13-14H2,1-3H3
- InChI Key
- NRJSAWAWRSPXOV-UHFFFAOYSA-N
- Formula
- C19H24O4
- SMILES
-
CC#CC(CC)OC(=O)CCC(=O)OC(CC)c1
ccccc1 - Molecular Weight1
- 316.39
- 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).
- 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 | 0.6955 | Relay (1.0) Calculated Property | |
| ΔfG° | -48.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -541.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.806 | Crippen Calculated Property | |
| McVol | 261.090 | ml/mol | McGowan Calculated Property |
| Pc | 1675.53 | kPa | Joback Calculated Property |
| Tboil | 600.03 | K | Relay (1.0) Calculated Property |
| Tc | 820.91 | K | Relay (1.0) Calculated Property |
| Tfus | 321.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.920 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [770.25; 846.83] | J/mol×K | [821.50; 1039.52] | 
|
| Cp,gas | 770.25 | J/mol×K | 821.50 | Joback Calculated Property |
| Cp,gas | 785.98 | J/mol×K | 857.84 | Joback Calculated Property |
| Cp,gas | 800.49 | J/mol×K | 894.17 | Joback Calculated Property |
| Cp,gas | 813.80 | J/mol×K | 930.51 | Joback Calculated Property |
| Cp,gas | 825.94 | J/mol×K | 966.85 | Joback Calculated Property |
| Cp,gas | 836.94 | J/mol×K | 1003.18 | Joback Calculated Property |
| Cp,gas | 846.83 | J/mol×K | 1039.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, hex-4-yn-3-yl 1-phenylpropyl ester.
Sources
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