- InChI
- InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)
- InChI Key
- YTIVTFGABIZHHX-UHFFFAOYSA-N
- Formula
- C4H2O4
- SMILES
- O=C(O)C#CC(=O)O
- Molecular Weight1
- 114.06
- CAS
- 142-45-0
- Other Names
-
- Acetylenedicarboxylic acid
- Butynedioic acid
- 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).
- 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° | -345.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.50 | kJ/mol | Joback Calculated Property |
| log10WS | 0.51 | Crippen Calculated Property | |
| logPoct/wat | -0.841 | Crippen Calculated Property | |
| McVol | 73.500 | ml/mol | McGowan Calculated Property |
| Pc | 7803.82 | kPa | Joback Calculated Property |
| Tboil | 592.02 | K | Joback Calculated Property |
| Tc | 787.12 | K | Joback Calculated Property |
| Tfus | 439.65 ± 2.50 | K | NIST |
| Vc | 0.272 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.42; 166.50] | J/mol×K | [592.02; 787.12] | 
|
| Cp,gas | 147.42 | J/mol×K | 592.02 | Joback Calculated Property |
| Cp,gas | 151.08 | J/mol×K | 624.54 | Joback Calculated Property |
| Cp,gas | 154.55 | J/mol×K | 657.05 | Joback Calculated Property |
| Cp,gas | 157.82 | J/mol×K | 689.57 | Joback Calculated Property |
| Cp,gas | 160.90 | J/mol×K | 722.08 | Joback Calculated Property |
| Cp,gas | 163.79 | J/mol×K | 754.60 | Joback Calculated Property |
| Cp,gas | 166.50 | J/mol×K | 787.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butynedioic acid.
Sources
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