- InChI
- InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)
- InChI Key
- PVEOYINWKBTPIZ-UHFFFAOYSA-N
- Formula
- C4H6O2
- SMILES
- C=CCC(=O)O
- Molecular Weight1
- 86.09
- CAS
- 625-38-7
- Other Names
-
- Acetic acid, ethenyl-
- CH2=CHCH2COOH
- Vinylacetic acid
- but-3-enoic acid
- «beta»-Butenoic acid
- «beta»-Butenoic acid
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Pvap : Vapor pressure (kPa).
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.5706 | Relay (1.0) Calculated Property | |
| ΔfG° | -195.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -324.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.75; 10.02] | eV |
|
| IE | 9.75 | eV | NIST |
| IE | 10.02 | eV | NIST |
| log10WS | 0.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.647 | Crippen Calculated Property | |
| McVol | 70.360 | ml/mol | McGowan Calculated Property |
| Pc | 4703.44 ± 100.00 | kPa | NIST |
| I | 1627.00 | NIST | |
| Tboil | 436.20 | K | NIST |
| Tc | 644.60 ± 3.00 | K | NIST |
| Tfus | 256.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.236 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.77; 162.04] | J/mol×K | [433.65; 611.05] |
|
| Cp,gas | 130.77 | J/mol×K | 433.65 | Joback Calculated Property |
| Cp,gas | 136.62 | J/mol×K | 463.22 | Joback Calculated Property |
| Cp,gas | 142.21 | J/mol×K | 492.78 | Joback Calculated Property |
| Cp,gas | 147.53 | J/mol×K | 522.35 | Joback Calculated Property |
| Cp,gas | 152.61 | J/mol×K | 551.92 | Joback Calculated Property |
| Cp,gas | 157.44 | J/mol×K | 581.48 | Joback Calculated Property |
| Cp,gas | 162.04 | J/mol×K | 611.05 | Joback Calculated Property |
| η | [0.0002841; 0.0295733] | Pa×s | [243.83; 433.65] |
|
| η | 0.0295733 | Pa×s | 243.83 | Joback Calculated Property |
| η | 0.0087410 | Pa×s | 275.47 | Joback Calculated Property |
| η | 0.0033211 | Pa×s | 307.10 | Joback Calculated Property |
| η | 0.0015119 | Pa×s | 338.74 | Joback Calculated Property |
| η | 0.0007873 | Pa×s | 370.38 | Joback Calculated Property |
| η | 0.0004543 | Pa×s | 402.01 | Joback Calculated Property |
| η | 0.0002841 | Pa×s | 433.65 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 342.70 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [338.82; 469.43] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37511e+01 | |||
| Coefficient B | -2.95386e+03 | |||
| Coefficient C | -1.19426e+02 | |||
| Temperature range, min. | 338.82 | |||
| Temperature range, max. | 469.43 | |||
| Pvap | 1.33 | kPa | 338.82 | Calculated Property |
| Pvap | 3.07 | kPa | 353.33 | Calculated Property |
| Pvap | 6.43 | kPa | 367.84 | Calculated Property |
| Pvap | 12.39 | kPa | 382.36 | Calculated Property |
| Pvap | 22.29 | kPa | 396.87 | Calculated Property |
| Pvap | 37.85 | kPa | 411.38 | Calculated Property |
| Pvap | 61.11 | kPa | 425.89 | Calculated Property |
| Pvap | 94.48 | kPa | 440.41 | Calculated Property |
| Pvap | 140.68 | kPa | 454.92 | Calculated Property |
| Pvap | 202.67 | kPa | 469.43 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Butenoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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