- InChI
- InChI=1S/C9H16O/c1-8(2)5-4-6-9(3)7-10/h5,7,9H,4,6H2,1-3H3
- InChI Key
- YGFGZTXGYTUXBA-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- CC(C)=CCCC(C)C=O
- Molecular Weight1
- 140.22
- CAS
- 106-72-9
- Other Names
-
- 2,6-Dimethyl hept-5-en-1-al
- 2,6-Dimethyl-5-hepten-1-al
- 2,6-Dimethyl-5-heptenal
- 2,6-Dimethylhept-5-enal
- Bergamal
- Melonal
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -5.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -212.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.00 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.568 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 2648.83 | kPa | Joback Calculated Property |
| Inp | [1036.00; 1060.00] |
|
|
| Inp | Outlier 1060.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1037.70 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1053.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1036.00 | NIST | |
| Inp | 1039.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1037.00 | NIST | |
| Inp | 1038.00 | NIST | |
| Inp | 1039.00 | NIST | |
| I | [1315.00; 1389.00] |
|
|
| I | 1315.00 | NIST | |
| I | 1330.00 | NIST | |
| I | 1389.00 | NIST | |
| I | 1356.00 | NIST | |
| I | 1358.00 | NIST | |
| I | 1358.00 | NIST | |
| Tboil | 457.58 | K | Joback Calculated Property |
| Tc | 642.53 | K | Joback Calculated Property |
| Tfus | 199.15 | K | Joback Calculated Property |
| Vc | 0.531 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [282.58; 354.11] | J/mol×K | [457.58; 642.53] |
|
| Cp,gas | 282.58 | J/mol×K | 457.58 | Joback Calculated Property |
| Cp,gas | 296.03 | J/mol×K | 488.40 | Joback Calculated Property |
| Cp,gas | 308.83 | J/mol×K | 519.23 | Joback Calculated Property |
| Cp,gas | 321.02 | J/mol×K | 550.05 | Joback Calculated Property |
| Cp,gas | 332.61 | J/mol×K | 580.88 | Joback Calculated Property |
| Cp,gas | 343.63 | J/mol×K | 611.70 | Joback Calculated Property |
| Cp,gas | 354.11 | J/mol×K | 642.53 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 393.20 | K | 13.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [341.92; 516.03] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.32166e+01 | |||
| Coefficient B | -3.54204e+03 | |||
| Coefficient C | -6.79600e+01 | |||
| Temperature range, min. | 341.92 | |||
| Temperature range, max. | 516.03 | |||
| Pvap | 1.33 | kPa | 341.92 | Calculated Property |
| Pvap | 3.13 | kPa | 361.27 | Calculated Property |
| Pvap | 6.60 | kPa | 380.61 | Calculated Property |
| Pvap | 12.78 | kPa | 399.96 | Calculated Property |
| Pvap | 22.99 | kPa | 419.30 | Calculated Property |
| Pvap | 38.91 | kPa | 438.65 | Calculated Property |
| Pvap | 62.50 | kPa | 457.99 | Calculated Property |
| Pvap | 96.00 | kPa | 477.34 | Calculated Property |
| Pvap | 141.86 | kPa | 496.68 | Calculated Property |
| Pvap | 202.66 | kPa | 516.03 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Heptenal, 2,6-dimethyl-.
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.