- 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
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 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 |
| ΔfH°gas | -368.50 ± 1.40 | kJ/mol | NIST |
| ΔfH°solid | -440.70 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 16.46 | 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° | 58.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.05 | eV | Relay (1.0) Calculated Property |
| log10WS | 9.52e-03 | Aq. Solubility Prediction | |
| logPoct/wat | 0.647 | Crippen Calculated Property | |
| McVol | 70.360 | ml/mol | McGowan Calculated Property |
| Pc | 4684.89 | kPa | Joback Calculated Property |
| Inp | 986.00 | NIST | |
| Ip | [1708.00; 1773.00] |
|
|
| Ip | 1708.00 | NIST | |
| Ip | 1709.00 | NIST | |
| Ip | 1773.00 | NIST | |
| Ip | 1773.00 | NIST | |
| Ip | 1744.00 | NIST | |
| Ip | 1763.00 | NIST | |
| Ip | 1744.00 | NIST | |
| Ip | 1746.00 | NIST | |
| Ip | 1708.00 | NIST | |
| Tboil | 445.97 | K | Relay (1.0) Calculated Property |
| Tc | 644.53 | K | Relay (1.0) Calculated Property |
| Tfus | [239.40; 345.00] | K |
|
| Tfus | 344.80 | K | Solubilities of crotonic acid in different organic solvents at severaltemperatures from (278.15 to 333.15) K |
| Tfus | 239.40 ± 0.60 | K | NIST |
| Tfus | 345.00 ± 1.50 | K | NIST |
| Tfus | 341.00 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [89.96; 205.89] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.03300e+01 | |||
| Coefficient B | 4.54620e-01 | |||
| Coefficient C | -3.50200e-04 | |||
| Coefficient D | 1.11800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 89.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 111.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 130.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 146.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 159.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 171.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 181.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 190.55 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 198.50 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 205.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008963; 0.0002365] | Pa×s | [317.55; 450.66] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.15276e+01 | |||
| Coefficient B | 1.43226e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 317.55 | |||
| Temperature range, max. | 450.66 | |||
| η | 0.0008963 | Pa×s | 317.55 | Calculated Property |
| η | 0.0007333 | Pa×s | 332.34 | Calculated Property |
| η | 0.0006103 | Pa×s | 347.13 | Calculated Property |
| η | 0.0005156 | Pa×s | 361.92 | Calculated Property |
| η | 0.0004414 | Pa×s | 376.71 | Calculated Property |
| η | 0.0003823 | Pa×s | 391.50 | Calculated Property |
| η | 0.0003347 | Pa×s | 406.29 | Calculated Property |
| η | 0.0002957 | Pa×s | 421.08 | Calculated Property |
| η | 0.0002635 | Pa×s | 435.87 | Calculated Property |
| η | 0.0002365 | Pa×s | 450.66 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 397.19] | kPa | [350.12; 486.29] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- 2-Propanol + Crotonic acid
- 1-Butanol + Crotonic acid
- Acetonitrile + Crotonic acid
- Ethyl Acetate + Crotonic acid
- Formamide, N,N-dimethyl- + Crotonic acid
- Acetic acid + Crotonic acid
Sources
- Cheméo Relay (1.0)
- 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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