- InChI
- InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2-
- InChI Key
- MLUCVPSAIODCQM-IHWYPQMZSA-N
- Formula
- C4H6O
- SMILES
- CC=CC=O
- Molecular Weight1
- 70.09
- CAS
- 15798-64-8
- Other Names
-
- (2Z)-2-Butenal
- (Z)-2-Butenal
- (Z)-Crotonaldehyde
- Crotonaldehyde, (Z)-
- cis-Crotonaldehyde
- 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).
- 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 | 0.3006 | Relay (1.0) Calculated Property | |
| ΔfG° | -36.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.761 | Crippen Calculated Property | |
| McVol | 64.490 | ml/mol | McGowan Calculated Property |
| Pc | 4590.15 | kPa | Joback Calculated Property |
| I | 1035.00 | NIST | |
| Tboil | 366.47 | K | Relay (1.0) Calculated Property |
| Tc | 585.41 | K | Relay (1.0) Calculated Property |
| Tfus | 199.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.238 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [81.25; 185.89] | 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 | -3.53000e+00 | |||
| Coefficient B | 3.78320e-01 | |||
| Coefficient C | -2.70600e-04 | |||
| Coefficient D | 8.17000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 81.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 100.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 116.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 130.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 143.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 153.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 163.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 171.60 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 179.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 185.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027814; 0.0001942] | Pa×s | [171.76; 368.68] |
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 | -1.08682e+01 | |||
| Coefficient B | 8.55950e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 171.76 | |||
| Temperature range, max. | 368.68 | |||
| η | 0.0027814 | Pa×s | 171.76 | Calculated Property |
| η | 0.0015839 | Pa×s | 193.64 | Calculated Property |
| η | 0.0010112 | Pa×s | 215.52 | Calculated Property |
| η | 0.0007012 | Pa×s | 237.40 | Calculated Property |
| η | 0.0005173 | Pa×s | 259.28 | Calculated Property |
| η | 0.0004001 | Pa×s | 281.16 | Calculated Property |
| η | 0.0003211 | Pa×s | 303.04 | Calculated Property |
| η | 0.0002655 | Pa×s | 324.92 | Calculated Property |
| η | 0.0002248 | Pa×s | 346.80 | Calculated Property |
| η | 0.0001942 | Pa×s | 368.68 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [277.12; 401.77] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.46487e+01 | |||
| Coefficient B | -3.32715e+03 | |||
| Coefficient C | -4.54420e+01 | |||
| Temperature range, min. | 277.12 | |||
| Temperature range, max. | 401.77 | |||
| Pvap | 1.33 | kPa | 277.12 | Calculated Property |
| Pvap | 3.00 | kPa | 290.97 | Calculated Property |
| Pvap | 6.18 | kPa | 304.82 | Calculated Property |
| Pvap | 11.84 | kPa | 318.67 | Calculated Property |
| Pvap | 21.31 | kPa | 332.52 | Calculated Property |
| Pvap | 36.32 | kPa | 346.37 | Calculated Property |
| Pvap | 59.08 | kPa | 360.22 | Calculated Property |
| Pvap | 92.23 | kPa | 374.07 | Calculated Property |
| Pvap | 138.90 | kPa | 387.92 | Calculated Property |
| Pvap | 202.62 | kPa | 401.77 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butenal, (Z)-.
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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