- InChI
- InChI=1S/C8H14O/c1-3-4-5-6-8(2)7-9/h6-7H,3-5H2,1-2H3/b8-6+
- InChI Key
- IGNVJMUTQIKSHB-SOFGYWHQSA-N
- Formula
- C8H14O
- SMILES
- CCCCC=C(C)C=O
- Molecular Weight1
- 126.20
- CAS
- 30567-26-1
- Other Names
-
- (E)-2-Methyl-2-heptenal
- 2-methyl-2-heptenal
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -11.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -186.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.16 | kJ/mol | Joback Calculated Property |
| log10WS | -2.30 | Crippen Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2906.11 | kPa | Joback Calculated Property |
| I | 1342.00 | NIST | |
| Tboil | 435.14 | K | Joback Calculated Property |
| Tc | 617.65 | K | Joback Calculated Property |
| Tfus | 202.88 | K | Joback Calculated Property |
| Vc | 0.481 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.01; 305.24] | J/mol×K | [435.14; 617.65] | 
|
| Cp,gas | 241.01 | J/mol×K | 435.14 | Joback Calculated Property |
| Cp,gas | 253.06 | J/mol×K | 465.56 | Joback Calculated Property |
| Cp,gas | 264.55 | J/mol×K | 495.98 | Joback Calculated Property |
| Cp,gas | 275.48 | J/mol×K | 526.39 | Joback Calculated Property |
| Cp,gas | 285.90 | J/mol×K | 556.81 | Joback Calculated Property |
| Cp,gas | 295.81 | J/mol×K | 587.23 | Joback Calculated Property |
| Cp,gas | 305.24 | J/mol×K | 617.65 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [336.32; 487.76] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42785e+01 | |||
| Coefficient B | -3.78183e+03 | |||
| Coefficient C | -6.60140e+01 | |||
| Temperature range, min. | 336.32 | |||
| Temperature range, max. | 487.76 | |||
| Pvap | 1.33 | kPa | 336.32 | Calculated Property |
| Pvap | 3.03 | kPa | 353.15 | Calculated Property |
| Pvap | 6.28 | kPa | 369.97 | Calculated Property |
| Pvap | 12.05 | kPa | 386.80 | Calculated Property |
| Pvap | 21.69 | kPa | 403.63 | Calculated Property |
| Pvap | 36.92 | kPa | 420.45 | Calculated Property |
| Pvap | 59.87 | kPa | 437.28 | Calculated Property |
| Pvap | 93.12 | kPa | 454.11 | Calculated Property |
| Pvap | 139.60 | kPa | 470.93 | Calculated Property |
| Pvap | 202.64 | kPa | 487.76 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Heptenal, 2-methyl-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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