- InChI
- InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H,3H2,(H,5,6)
- InChI Key
- KKAHGSQLSTUDAV-UHFFFAOYSA-N
- Formula
- C4H4O2
- SMILES
- C#CCC(=O)O
- Molecular Weight1
- 84.07
- CAS
- 2345-51-9
- Other Names
-
- CH«equiv»CCH2COOH
- but-3-ynoic acid
- 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 | 0.5458 | Relay (1.0) Calculated Property | |
| ΔfG° | -59.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.21 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.094 | Crippen Calculated Property | |
| McVol | 66.060 | ml/mol | McGowan Calculated Property |
| Pc | 5926.27 | kPa | Joback Calculated Property |
| Tboil | 470.01 | K | Relay (1.0) Calculated Property |
| Tc | 653.73 | K | Relay (1.0) Calculated Property |
| Tfus | 317.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.216 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [119.64; 144.19] | J/mol×K | [427.09; 613.16] | 
|
| Cp,gas | 119.64 | J/mol×K | 427.09 | Joback Calculated Property |
| Cp,gas | 124.30 | J/mol×K | 458.10 | Joback Calculated Property |
| Cp,gas | 128.72 | J/mol×K | 489.11 | Joback Calculated Property |
| Cp,gas | 132.91 | J/mol×K | 520.13 | Joback Calculated Property |
| Cp,gas | 136.88 | J/mol×K | 551.14 | Joback Calculated Property |
| Cp,gas | 140.63 | J/mol×K | 582.15 | Joback Calculated Property |
| Cp,gas | 144.19 | J/mol×K | 613.16 | Joback Calculated Property |
Similar Compounds
![[2H2]malonic [2H2]acid.](data:image/png;base64,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)
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