- InChI
- InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2-
- InChI Key
- LDHQCZJRKDOVOX-IHWYPQMZSA-N
- Formula
- C4H6O2
- SMILES
- CC=CC(=O)O
- Molecular Weight1
- 86.09
- CAS
- 503-64-0
- Other Names
-
- (2Z)-2-Butenoic acid
- (Z)-2-BUTENOIC ACID
- (Z)-CH3CH=CHCOOH
- (Z)-CROTONIC ACID
- 2-Butenoic acid, (Z)-
- CIS-CROTONIC ACID
- Crotonic acid, (Z)-
- cis-2-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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 0.5859 | Relay (1.0) Calculated Property | |
| ΔfG° | -202.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -358.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.08 | eV | NIST |
| log10WS | -0.21 | 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 |
| Tboil | 442.50 | K | NIST |
| Tc | 644.60 ± 3.00 | K | NIST |
| Tfus | 349.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.235 | m3/kmol | Relay (1.0) 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 |
| ΔfusH | [12.57; 12.57] | kJ/mol | [344.40; 344.40] |
|
| ΔfusH | 12.57 | kJ/mol | 344.40 | NIST |
| ΔfusH | 12.57 | kJ/mol | 344.40 | NIST |
| ΔvapH | 55.80 | kJ/mol | 375.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 221.53] | kPa | [339.49; 470.28] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57701e+01 | |||
| Coefficient B | -4.10684e+03 | |||
| Coefficient C | -7.42330e+01 | |||
| Temperature range, min. | 339.49 | |||
| Temperature range, max. | 470.28 | |||
| Pvap | 1.33 | kPa | 339.49 | Calculated Property |
| Pvap | 2.98 | kPa | 354.02 | Calculated Property |
| Pvap | 6.15 | kPa | 368.55 | Calculated Property |
| Pvap | 11.86 | kPa | 383.09 | Calculated Property |
| Pvap | 21.56 | kPa | 397.62 | Calculated Property |
| Pvap | 37.22 | kPa | 412.15 | Calculated Property |
| Pvap | 61.43 | kPa | 426.68 | Calculated Property |
| Pvap | 97.44 | kPa | 441.22 | Calculated Property |
| Pvap | 149.24 | kPa | 455.75 | Calculated Property |
| Pvap | 221.53 | kPa | 470.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Isocrotonic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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