- InChI
- InChI=1S/C12H16O4/c1-4-6-9-15-11(13)7-8-12(14)16-10(3)5-2/h2,4,10H,1,6-9H2,3H3
- InChI Key
- NOXILKCBEFCQDE-UHFFFAOYSA-N
- Formula
- C12H16O4
- SMILES
- C#CC(C)OC(=O)CCC(=O)OCCC=C
- Molecular Weight1
- 224.25
- 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 | 0.5640 | Relay (... Calculated Property | |
| ΔfG° | -109.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.63 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.49 | kJ/mol | Relay (... Calculated Property |
| IE | 9.74 | eV | Relay (... Calculated Property |
| log10WS | -2.03 | Relay (... Calculated Property | |
| logPoct/wat | 1.451 | Crippen Calculated Property | |
| McVol | 181.920 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | 1468.00 | NIST | |
| Tboil | 515.25 | K | Relay (... Calculated Property |
| Tc | 696.53 | K | Relay (... Calculated Property |
| Tfus | 276.99 | K | Relay (... Calculated Property |
| Vc | 0.636 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.78; 520.84] | J/mol×K | [612.90; 806.22] | 
|
| Cp,gas | 451.78 | J/mol×K | 612.90 | Joback Calculated Property |
| Cp,gas | 464.90 | J/mol×K | 645.12 | Joback Calculated Property |
| Cp,gas | 477.37 | J/mol×K | 677.34 | Joback Calculated Property |
| Cp,gas | 489.19 | J/mol×K | 709.56 | Joback Calculated Property |
| Cp,gas | 500.37 | J/mol×K | 741.78 | Joback Calculated Property |
| Cp,gas | 510.92 | J/mol×K | 774.00 | Joback Calculated Property |
| Cp,gas | 520.84 | J/mol×K | 806.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, but-3-yn-2-yl but-3-en-1-yl ester.
Sources
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