- InChI
- InChI=1S/C6H10O/c1-3-4-6(2)5-7/h4-5H,3H2,1-2H3
- InChI Key
- IDEYZABHVQLHAF-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- CCC=C(C)C=O
- Molecular Weight1
- 98.14
- CAS
- 623-36-9
- Other Names
-
- 2-Methyl-2-penten-1-al
- 2-Methyl-2-pentenal
- 2-Methyl-2-pentene-1-al
- 2-Methyl-2-pentenoic aldehyde
- 2-Methyl-3-ethylacrolein
- 2-Methylpent-2-enal
- CH3CH2CH=C(CH3)CHO
- NSC 9464
- «alpha»-Methyl-«beta»-ethylacrolein
- «beta»-Ethyl-«alpha»-methylacrolein
- «alpha»-Methyl-«beta»-ethylacrolein
- «beta»-Ethyl-«alpha»-methylacrolein
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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°liquid | -3783.00 | kJ/mol | NIST |
| ΔfG° | -28.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -145.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.71 | kJ/mol | Joback Calculated Property |
| IE | 9.54 | eV | NIST |
| log10WS | -1.47 | Crippen Calculated Property | |
| logPoct/wat | 1.542 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Inp | [804.00; 853.00] |
|
|
| Inp | 852.00 | NIST | |
| Inp | 809.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 811.00 | NIST | |
| Inp | 829.70 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 853.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 808.00 | NIST | |
| Inp | 808.00 | NIST | |
| Inp | 804.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 813.00 | NIST | |
| Inp | 813.00 | NIST | |
| Inp | 826.00 | NIST | |
| Inp | 828.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 812.00 | NIST | |
| Inp | 808.00 | NIST | |
| Inp | 829.70 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 826.00 | NIST | |
| I | [1130.00; 1190.00] |
|
|
| I | 1149.00 | NIST | |
| I | 1185.00 | NIST | |
| I | 1171.00 | NIST | |
| I | 1151.00 | NIST | |
| I | 1151.00 | NIST | |
| I | Outlier 1190.00 | NIST | |
| I | 1150.00 | NIST | |
| I | 1177.00 | NIST | |
| I | 1167.00 | NIST | |
| I | 1160.00 | NIST | |
| I | 1155.00 | NIST | |
| I | 1167.00 | NIST | |
| I | 1142.00 | NIST | |
| I | 1155.00 | NIST | |
| I | 1155.00 | NIST | |
| I | 1151.00 | NIST | |
| I | 1130.00 | NIST | |
| I | 1130.00 | NIST | |
| I | 1157.00 | NIST | |
| I | 1172.00 | NIST | |
| I | 1149.00 | NIST | |
| I | 1155.00 | NIST | |
| I | 1157.00 | NIST | |
| I | 1149.00 | NIST | |
| Tboil | 409.15 ± 2.00 | K | NIST |
| Tc | 574.52 | K | Joback Calculated Property |
| Tfus | 178.60 ± 0.60 | K | NIST |
| Vc | 0.369 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [164.68; 215.78] | J/mol×K | [389.38; 574.52] |
|
| Cp,gas | 164.68 | J/mol×K | 389.38 | Joback Calculated Property |
| Cp,gas | 174.31 | J/mol×K | 420.24 | Joback Calculated Property |
| Cp,gas | 183.47 | J/mol×K | 451.09 | Joback Calculated Property |
| Cp,gas | 192.18 | J/mol×K | 481.95 | Joback Calculated Property |
| Cp,gas | 200.45 | J/mol×K | 512.80 | Joback Calculated Property |
| Cp,gas | 208.31 | J/mol×K | 543.66 | Joback Calculated Property |
| Cp,gas | 215.78 | J/mol×K | 574.52 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 410.70 | K | 102.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [305.12; 434.41] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50236e+01 | |||
| Coefficient B | -3.68324e+03 | |||
| Coefficient C | -5.51720e+01 | |||
| Temperature range, min. | 305.12 | |||
| Temperature range, max. | 434.41 | |||
| Pvap | 1.33 | kPa | 305.12 | Calculated Property |
| Pvap | 2.97 | kPa | 319.49 | Calculated Property |
| Pvap | 6.09 | kPa | 333.85 | Calculated Property |
| Pvap | 11.64 | kPa | 348.22 | Calculated Property |
| Pvap | 20.95 | kPa | 362.58 | Calculated Property |
| Pvap | 35.77 | kPa | 376.95 | Calculated Property |
| Pvap | 58.33 | kPa | 391.31 | Calculated Property |
| Pvap | 91.40 | kPa | 405.68 | Calculated Property |
| Pvap | 138.24 | kPa | 420.04 | Calculated Property |
| Pvap | 202.63 | kPa | 434.41 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentenal, 2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
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