- InChI
- InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+
- InChI Key
- UIERETOOQGIECD-ONEGZZNKSA-N
- Formula
- C5H8O2
- SMILES
- C/C=C(\C)C(=O)O
- Molecular Weight1
- 100.12
- CAS
- 80-59-1
- Other Names
-
- (E)-2,3-Dimethylacrylic acid
- (E)-2-Methylcrotonic acid
- (E)-2-methylbut-2-enoic acid
- 2-Butenoic acid, 2-methyl-, (2E)-
- 2-Butenoic acid, 2-methyl-, (E)-
- 2-methyl-(E)-2-butenoic acid
- Cevadic acid
- Crotonic acid, 2-methyl-, (E)-
- NSC 44235
- Tiglic acid, (E)-
- Tiglinic acid
- trans-2,3-Dimethylacrylic acid
- trans-2-Methyl-2-butenoic acid
- trans-2-Methylcrotonic acid
- trans-Crotonic acid, 2-methyl-
- trans-«alpha»,«beta»-Dimethylacrylic Acid
- (E)-2-Methyl-2-butenoic 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.5668 | Relay (1.0) Calculated Property | |
| ΔfG° | -281.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -398.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.037 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 4857.97 ± 100.00 | kPa | NIST |
| Inp | [941.00; 946.00] |
|
|
| Inp | 941.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 946.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 941.00 | NIST | |
| Ip | [1838.00; 1867.00] |
|
|
| Ip | 1862.00 | NIST | |
| Ip | 1867.00 | NIST | |
| Ip | 1862.00 | NIST | |
| Ip | Outlier 1838.00 | NIST | |
| Ip | 1862.00 | NIST | |
| Ip | 1867.00 | NIST | |
| Ip | 1862.00 | NIST | |
| Tboil | 471.70 | K | NIST |
| Tc | 680.62 ± 3.00 | K | NIST |
| Tfus | [336.70; 337.15] | K |
|
| Tfus | 337.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 336.70 ± 1.50 | K | NIST |
| Vc | 0.307 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 61.20 | kJ/mol | 401.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [111.32; 257.21] | 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 | -1.09300e+01 | |||
| Coefficient B | 5.49540e-01 | |||
| Coefficient C | -4.06900e-04 | |||
| Coefficient D | 1.25500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 111.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 138.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 161.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 181.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 198.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 213.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 226.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 237.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 247.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 257.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [0.18; 202.66] | kPa | [338.15; 499.21] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.33116e+01 | |||
| Coefficient B | -2.76001e+03 | |||
| Coefficient C | -1.54210e+02 | |||
| Temperature range, min. | 338.15 | |||
| Temperature range, max. | 499.21 | |||
| Pvap | 0.18 | kPa | 338.15 | Calculated Property |
| Pvap | 0.70 | kPa | 356.05 | Calculated Property |
| Pvap | 2.12 | kPa | 373.94 | Calculated Property |
| Pvap | 5.46 | kPa | 391.84 | Calculated Property |
| Pvap | 12.31 | kPa | 409.73 | Calculated Property |
| Pvap | 24.96 | kPa | 427.63 | Calculated Property |
| Pvap | 46.40 | kPa | 445.52 | Calculated Property |
| Pvap | 80.28 | kPa | 463.42 | Calculated Property |
| Pvap | 130.82 | kPa | 481.31 | Calculated Property |
| Pvap | 202.66 | kPa | 499.21 | Calculated Property |
| Pvap | [0.13; 100.29] | kPa | [325.00; 471.70] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.77247e+01 | |||
| Coefficient B | -5.72953e+03 | |||
| Coefficient C | -3.48860e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 325.00 | |||
| Temperature range, max. | 471.70 | |||
| Pvap | 0.13 | kPa | 325.00 | Calculated Property |
| Pvap | 0.38 | kPa | 341.30 | Calculated Property |
| Pvap | 0.97 | kPa | 357.60 | Calculated Property |
| Pvap | 2.28 | kPa | 373.90 | Calculated Property |
| Pvap | 4.95 | kPa | 390.20 | Calculated Property |
| Pvap | 10.04 | kPa | 406.50 | Calculated Property |
| Pvap | 19.19 | kPa | 422.80 | Calculated Property |
| Pvap | 34.82 | kPa | 439.10 | Calculated Property |
| Pvap | 60.32 | kPa | 455.40 | Calculated Property |
| Pvap | 100.29 | kPa | 471.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Tiglic acid.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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