- InChI
- InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)
- InChI Key
- LDHQCZJRKDOVOX-UHFFFAOYSA-N
- Formula
- C4H6O2
- SMILES
- CC=CC(=O)O
- Molecular Weight1
- 86.09
- CAS
- 3724-65-0
- Other Names
-
- .alpha.-butenoic acid
- 2-Butenoic acid
- 2-butenoic acid (isomer not specified)
- 3-Methylacrylic acid
- Acrylic acid, 3-methyl-
- But-2-enoic acid
- CH3CH=CHCOOH
- Kyselina krotonova
- NSC 206946
- UN 2823
- butenoic acid
- «alpha»-Butenoic acid
- «alpha»-Crotonic acid
- «beta»-Methylacrylic acid
- «alpha»-Butenoic acid
- «alpha»-Crotonic acid
- «beta»-Methylacrylic acid
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ΔcH°solid | [-1999.00; -1990.80] | kJ/mol |
|
| ΔcH°solid | -1990.80 ± 1.00 | kJ/mol | NIST |
| ΔcH°solid | -1999.00 | kJ/mol | NIST |
| ΔfG° | -202.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -368.50 ± 1.40 | kJ/mol | NIST |
| ΔfH°solid | -440.70 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 12.01 | kJ/mol | Joback Calculated Property |
| ΔsubH° | [72.20; 72.20] | kJ/mol |
|
| ΔsubH° | 72.20 ± 0.40 | kJ/mol | NIST |
| ΔsubH° | 72.20 | kJ/mol | NIST |
| ΔvapH° | 47.88 | kJ/mol | Joback Calculated Property |
| log10WS | 9.52e-03 | Aq. Sol... | |
| logPoct/wat | 0.647 | Crippen Calculated Property | |
| McVol | 70.360 | ml/mol | McGowan Calculated Property |
| Pc | 5138.68 | kPa | Joback Calculated Property |
| Inp | 986.00 | NIST | |
| I | [1708.00; 1773.00] |
|
|
| I | 1708.00 | NIST | |
| I | 1709.00 | NIST | |
| I | 1773.00 | NIST | |
| I | 1773.00 | NIST | |
| I | 1744.00 | NIST | |
| I | 1763.00 | NIST | |
| I | 1744.00 | NIST | |
| I | 1746.00 | NIST | |
| I | 1708.00 | NIST | |
| Tboil | 441.13 | K | Joback Calculated Property |
| Tc | 623.44 | K | Joback Calculated Property |
| Tfus | [239.40; 345.00] | K |
|
| Tfus | 344.80 | K | Solubil... |
| Tfus | 239.40 ± 0.60 | K | NIST |
| Tfus | 345.00 ± 1.50 | K | NIST |
| Tfus | 341.00 ± 0.20 | K | NIST |
| Vc | 0.265 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.47; 161.26] | J/mol×K | [441.13; 623.44] |
|
| Cp,gas | 129.47 | J/mol×K | 441.13 | Joback Calculated Property |
| Cp,gas | 135.50 | J/mol×K | 471.51 | Joback Calculated Property |
| Cp,gas | 141.22 | J/mol×K | 501.90 | Joback Calculated Property |
| Cp,gas | 146.65 | J/mol×K | 532.28 | Joback Calculated Property |
| Cp,gas | 151.79 | J/mol×K | 562.67 | Joback Calculated Property |
| Cp,gas | 156.65 | J/mol×K | 593.05 | Joback Calculated Property |
| Cp,gas | 161.26 | J/mol×K | 623.44 | Joback Calculated Property |
| η | [0.0002256; 0.0325411] | Pa×s | [240.51; 441.13] |
|
| η | 0.0325411 | Pa×s | 240.51 | Joback Calculated Property |
| η | 0.0085700 | Pa×s | 273.95 | Joback Calculated Property |
| η | 0.0030171 | Pa×s | 307.38 | Joback Calculated Property |
| η | 0.0013037 | Pa×s | 340.82 | Joback Calculated Property |
| η | 0.0006544 | Pa×s | 374.26 | Joback Calculated Property |
| η | 0.0003678 | Pa×s | 407.69 | Joback Calculated Property |
| η | 0.0002256 | Pa×s | 441.13 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 397.19] | kPa | [350.12; 486.29] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.77424e+01 | |||
| Coefficient B | -4.90563e+03 | |||
| Coefficient C | -6.90720e+01 | |||
| Temperature range, min. | 350.12 | |||
| Temperature range, max. | 486.29 | |||
| Pvap | 1.33 | kPa | 350.12 | Calculated Property |
| Pvap | 3.25 | kPa | 365.25 | Calculated Property |
| Pvap | 7.27 | kPa | 380.38 | Calculated Property |
| Pvap | 15.10 | kPa | 395.51 | Calculated Property |
| Pvap | 29.38 | kPa | 410.64 | Calculated Property |
| Pvap | 54.03 | kPa | 425.77 | Calculated Property |
| Pvap | 94.55 | kPa | 440.90 | Calculated Property |
| Pvap | 158.37 | kPa | 456.03 | Calculated Property |
| Pvap | 255.18 | kPa | 471.16 | Calculated Property |
| Pvap | 397.19 | kPa | 486.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Crotonic acid.
Mixtures
- Crotonic acid + Methyl Alcohol
- Ethanol + Crotonic acid
- Isopropyl Alcohol + Crotonic acid
- 1-Butanol + Crotonic acid
- Acetonitrile + Crotonic acid
- Ethyl Acetate + Crotonic acid
- Formamide, N,N-dimethyl- + Crotonic acid
- Acetic acid + Crotonic acid
Sources
- Crippen Method
- Solubilities of crotonic acid in different organic solvents at severaltemperatures from (278.15 to 333.15) K
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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