- InChI
- InChI=1S/C7H12O/c1-4-5-7(2,3)6-8/h4,6H,1,5H2,2-3H3
- InChI Key
- DXSDIWHOOOBQTJ-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- C=CCC(C)(C)C=O
- Molecular Weight1
- 112.17
- CAS
- 5497-67-6
- Other Names
-
- 2,2-Dimethyl-4-pentenal
- 2,2-dimethylpent-4-enal
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -0.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.93 | kJ/mol | Joback Calculated Property |
| log10WS | -1.64 | Crippen Calculated Property | |
| logPoct/wat | 1.788 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3246.73 | kPa | Joback Calculated Property |
| Tboil | 397.70 | K | NIST |
| Tc | 588.60 | K | Joback Calculated Property |
| Tfus | 211.31 | K | Joback Calculated Property |
| Vc | 0.414 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.81; 265.18] | J/mol×K | [401.67; 588.60] | 
|
| Cp,gas | 203.81 | J/mol×K | 401.67 | Joback Calculated Property |
| Cp,gas | 215.58 | J/mol×K | 432.83 | Joback Calculated Property |
| Cp,gas | 226.70 | J/mol×K | 463.98 | Joback Calculated Property |
| Cp,gas | 237.19 | J/mol×K | 495.14 | Joback Calculated Property |
| Cp,gas | 247.08 | J/mol×K | 526.29 | Joback Calculated Property |
| Cp,gas | 256.40 | J/mol×K | 557.45 | Joback Calculated Property |
| Cp,gas | 265.18 | J/mol×K | 588.60 | Joback Calculated Property |
| η | [0.0003436; 0.0069011] | Pa×s | [211.31; 401.67] |
|
| η | 0.0069011 | Pa×s | 211.31 | Joback Calculated Property |
| η | 0.0030203 | Pa×s | 243.04 | Joback Calculated Property |
| η | 0.0015998 | Pa×s | 274.76 | Joback Calculated Property |
| η | 0.0009665 | Pa×s | 306.49 | Joback Calculated Property |
| η | 0.0006418 | Pa×s | 338.22 | Joback Calculated Property |
| η | 0.0004572 | Pa×s | 369.94 | Joback Calculated Property |
| η | 0.0003436 | Pa×s | 401.67 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [304.32; 467.41] |
The Yaw...
|
| 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 4-Pentenal, 2,2-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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