- InChI
- InChI=1S/C7H12O/c1-4-6(2)7(3)5-8/h4-7H,1H2,2-3H3
- InChI Key
- HXPMOQYQMCGITO-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- C=CC(C)C(C)C=O
- Molecular Weight1
- 112.17
- CAS
- ---
- 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).
- 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 | 0.3241 | Relay (1.0) Calculated Property | |
| ΔfG° | -8.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -184.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.643 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3235.66 | kPa | Joback Calculated Property |
| Tboil | 394.31 | K | Relay (1.0) Calculated Property |
| Tc | 581.36 | K | Relay (1.0) Calculated Property |
| Tfus | 226.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.375 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.96; 261.33] | J/mol×K | [404.02; 587.55] | 
|
| Cp,gas | 201.96 | J/mol×K | 404.02 | Joback Calculated Property |
| Cp,gas | 213.06 | J/mol×K | 434.61 | Joback Calculated Property |
| Cp,gas | 223.65 | J/mol×K | 465.20 | Joback Calculated Property |
| Cp,gas | 233.76 | J/mol×K | 495.78 | Joback Calculated Property |
| Cp,gas | 243.40 | J/mol×K | 526.37 | Joback Calculated Property |
| Cp,gas | 252.58 | J/mol×K | 556.96 | Joback Calculated Property |
| Cp,gas | 261.33 | J/mol×K | 587.55 | Joback Calculated Property |
| η | [0.0002924; 0.0112802] | Pa×s | [178.89; 404.02] |
|
| η | 0.0112802 | Pa×s | 178.89 | Joback Calculated Property |
| η | 0.0036201 | Pa×s | 216.41 | Joback Calculated Property |
| η | 0.0016255 | Pa×s | 253.93 | Joback Calculated Property |
| η | 0.0008970 | Pa×s | 291.45 | Joback Calculated Property |
| η | 0.0005669 | Pa×s | 328.98 | Joback Calculated Property |
| η | 0.0003935 | Pa×s | 366.50 | Joback Calculated Property |
| η | 0.0002924 | Pa×s | 404.02 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [304.32; 467.41] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.29948e+01 | |||
| Coefficient B | -3.16952e+03 | |||
| Coefficient C | -5.48940e+01 | |||
| Temperature range, min. | 304.32 | |||
| Temperature range, max. | 467.41 | |||
| Pvap | 1.33 | kPa | 304.32 | Calculated Property |
| Pvap | 3.15 | kPa | 322.44 | Calculated Property |
| Pvap | 6.68 | kPa | 340.56 | Calculated Property |
| Pvap | 12.96 | kPa | 358.68 | Calculated Property |
| Pvap | 23.31 | kPa | 376.80 | Calculated Property |
| Pvap | 39.39 | kPa | 394.93 | Calculated Property |
| Pvap | 63.13 | kPa | 413.05 | Calculated Property |
| Pvap | 96.68 | kPa | 431.17 | Calculated Property |
| Pvap | 142.37 | kPa | 449.29 | Calculated Property |
| Pvap | 202.64 | kPa | 467.41 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-dimethyl-4-pentenal.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- The Yaws Handbook of Vapor Pressure
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