- InChI
- InChI=1S/C4H4O2/c1-2-3-4(5)6/h1H3,(H,5,6)
- InChI Key
- LUEHNHVFDCZTGL-UHFFFAOYSA-N
- Formula
- C4H4O2
- SMILES
- CC#CC(=O)O
- Molecular Weight1
- 84.07
- CAS
- 590-93-2
- Other Names
-
- 1-Propynecarboxylic acid
- 3-Methylpropiolic acid
- Tetrolic 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).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -80.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -118.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.08 | kJ/mol | Joback Calculated Property |
| log10WS | -0.39 | Crippen Calculated Property | |
| logPoct/wat | 0.094 | Crippen Calculated Property | |
| McVol | 66.060 | ml/mol | McGowan Calculated Property |
| Pc | 6037.30 | kPa | Joback Calculated Property |
| Tboil | 476.20 | K | NIST |
| Tc | 643.82 | K | Joback Calculated Property |
| Tfus | 351.69 | K | Joback Calculated Property |
| Vc | 0.246 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.39; 141.31] | J/mol×K | [445.97; 643.82] | 
|
| Cp,gas | 115.39 | J/mol×K | 445.97 | Joback Calculated Property |
| Cp,gas | 120.19 | J/mol×K | 478.95 | Joback Calculated Property |
| Cp,gas | 124.79 | J/mol×K | 511.92 | Joback Calculated Property |
| Cp,gas | 129.20 | J/mol×K | 544.90 | Joback Calculated Property |
| Cp,gas | 133.42 | J/mol×K | 577.87 | Joback Calculated Property |
| Cp,gas | 137.46 | J/mol×K | 610.85 | Joback Calculated Property |
| Cp,gas | 141.31 | J/mol×K | 643.82 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [372.70; 373.00] | K | [2.00; 2.40] |
|
| Tboilr | 373.00 | K | 2.00 | NIST |
| Tboilr | 372.70 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.35; 202.89] | kPa | [363.15; 503.15] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.56871e+01 | |||
| Coefficient B | -4.45703e+03 | |||
| Coefficient C | -7.35340e+01 | |||
| Temperature range, min. | 363.15 | |||
| Temperature range, max. | 503.15 | |||
| Pvap | 1.35 | kPa | 363.15 | Calculated Property |
| Pvap | 2.95 | kPa | 378.71 | Calculated Property |
| Pvap | 5.99 | kPa | 394.26 | Calculated Property |
| Pvap | 11.40 | kPa | 409.82 | Calculated Property |
| Pvap | 20.48 | kPa | 425.37 | Calculated Property |
| Pvap | 35.01 | kPa | 440.93 | Calculated Property |
| Pvap | 57.31 | kPa | 456.48 | Calculated Property |
| Pvap | 90.26 | kPa | 472.04 | Calculated Property |
| Pvap | 137.40 | kPa | 487.59 | Calculated Property |
| Pvap | 202.89 | kPa | 503.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butynoic acid.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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