- InChI
- InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3
- InChI Key
- NDFKTBCGKNOHPJ-UHFFFAOYSA-N
- Formula
- C7H12O
- SMILES
- CCCCC=CC=O
- Molecular Weight1
- 112.17
- CAS
- 2463-63-0
- Other Names
-
- 2-Hepten-1-al
- hept-2-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).
- Inp : Non-polar retention indices.
- 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° | -11.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.85 | kJ/mol | Joback Calculated Property |
| log10WS | -1.89 | Crippen Calculated Property | |
| logPoct/wat | 1.932 | Crippen Calculated Property | |
| McVol | 106.760 | ml/mol | McGowan Calculated Property |
| Pc | 3213.68 | kPa | Joback Calculated Property |
| Inp | [909.00; 975.00] |
|
|
| Inp | 935.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 968.00 | NIST | |
| Inp | 936.00 | NIST | |
| Inp | 927.00 | NIST | |
| Inp | 930.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 951.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 970.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | Outlier 909.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 964.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 958.00 | NIST | |
| Inp | 954.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 975.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 940.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 928.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 959.00 | NIST | |
| Inp | 961.00 | NIST | |
| Inp | 931.00 | NIST | |
| Inp | Outlier 921.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 949.00 | NIST | |
| Inp | 963.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 932.00 | NIST | |
| Inp | 952.00 | NIST | |
| Inp | 956.00 | NIST | |
| Inp | 957.00 | NIST | |
| Inp | 960.00 | NIST | |
| Inp | 935.00 | NIST | |
| I | [1313.00; 1364.00] |
|
|
| I | Outlier 1364.00 | NIST | |
| I | 1352.00 | NIST | |
| I | 1321.00 | NIST | |
| I | 1320.00 | NIST | |
| I | 1313.00 | NIST | |
| I | 1353.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1333.00 | NIST | |
| I | 1334.00 | NIST | |
| I | 1349.00 | NIST | |
| I | 1320.00 | NIST | |
| I | 1336.00 | NIST | |
| I | 1338.00 | NIST | |
| I | 1336.00 | NIST | |
| I | 1336.00 | NIST | |
| I | 1337.00 | NIST | |
| I | 1338.00 | NIST | |
| I | 1320.00 | NIST | |
| I | 1327.00 | NIST | |
| I | 1313.00 | NIST | |
| I | 1352.00 | NIST | |
| I | 1333.00 | NIST | |
| I | 1338.00 | NIST | |
| I | 1353.00 | NIST | |
| Tboil | 412.38 | K | Joback Calculated Property |
| Tc | 592.75 | K | Joback Calculated Property |
| Tfus | 205.57 | K | Joback Calculated Property |
| Vc | 0.424 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.75; 258.96] | J/mol×K | [412.38; 592.75] |
|
| Cp,gas | 201.75 | J/mol×K | 412.38 | Joback Calculated Property |
| Cp,gas | 212.47 | J/mol×K | 442.44 | Joback Calculated Property |
| Cp,gas | 222.70 | J/mol×K | 472.50 | Joback Calculated Property |
| Cp,gas | 232.44 | J/mol×K | 502.57 | Joback Calculated Property |
| Cp,gas | 241.72 | J/mol×K | 532.63 | Joback Calculated Property |
| Cp,gas | 250.55 | J/mol×K | 562.69 | Joback Calculated Property |
| Cp,gas | 258.96 | J/mol×K | 592.75 | Joback Calculated Property |
| η | [0.0002654; 0.0042661] | Pa×s | [205.57; 412.38] |
|
| η | 0.0042661 | Pa×s | 205.57 | Joback Calculated Property |
| η | 0.0019261 | Pa×s | 240.04 | Joback Calculated Property |
| η | 0.0010618 | Pa×s | 274.51 | Joback Calculated Property |
| η | 0.0006685 | Pa×s | 308.98 | Joback Calculated Property |
| η | 0.0004619 | Pa×s | 343.44 | Joback Calculated Property |
| η | 0.0003414 | Pa×s | 377.91 | Joback Calculated Property |
| η | 0.0002654 | Pa×s | 412.38 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [328.32; 458.31] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.55564e+01 | |||
| Coefficient B | -4.04756e+03 | |||
| Coefficient C | -6.32340e+01 | |||
| Temperature range, min. | 328.32 | |||
| Temperature range, max. | 458.31 | |||
| Pvap | 1.33 | kPa | 328.32 | Calculated Property |
| Pvap | 2.93 | kPa | 342.76 | Calculated Property |
| Pvap | 5.98 | kPa | 357.21 | Calculated Property |
| Pvap | 11.39 | kPa | 371.65 | Calculated Property |
| Pvap | 20.49 | kPa | 386.09 | Calculated Property |
| Pvap | 35.05 | kPa | 400.54 | Calculated Property |
| Pvap | 57.36 | kPa | 414.98 | Calculated Property |
| Pvap | 90.31 | kPa | 429.42 | Calculated Property |
| Pvap | 137.37 | kPa | 443.87 | Calculated Property |
| Pvap | 202.64 | kPa | 458.31 | Calculated Property |
Similar Compounds
![[2,3-2H2]-(E)-2-Octenal.](data:image/png;base64,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)
Find more compounds similar to 2-Heptenal.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.