- InChI
- InChI=1S/C7H14O/c1-7(2)5-3-4-6-8/h6-7H,3-5H2,1-2H3
- InChI Key
- GEKRISJWBAIIAA-UHFFFAOYSA-N
- Formula
- C7H14O
- SMILES
- CC(C)CCCC=O
- Molecular Weight1
- 114.19
- CAS
- 1860-39-5
- Other Names
-
- 5-Methylhexan-1-al
- 5-Methyl hexanal
- 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).
- 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° | -93.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.51 | kJ/mol | Joback Calculated Property |
| log10WS | -1.79 | Crippen Calculated Property | |
| logPoct/wat | 2.012 | Crippen Calculated Property | |
| McVol | 111.060 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| I | 1150.00 | NIST | |
| Tboil | 407.78 | K | Joback Calculated Property |
| Tc | 583.42 | K | Joback Calculated Property |
| Tfus | 195.65 | K | Joback Calculated Property |
| Vc | 0.439 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.97; 278.60] | J/mol×K | [407.78; 583.42] | 
|
| Cp,gas | 216.97 | J/mol×K | 407.78 | Joback Calculated Property |
| Cp,gas | 228.33 | J/mol×K | 437.05 | Joback Calculated Property |
| Cp,gas | 239.24 | J/mol×K | 466.33 | Joback Calculated Property |
| Cp,gas | 249.71 | J/mol×K | 495.60 | Joback Calculated Property |
| Cp,gas | 259.76 | J/mol×K | 524.87 | Joback Calculated Property |
| Cp,gas | 269.38 | J/mol×K | 554.14 | Joback Calculated Property |
| Cp,gas | 278.60 | J/mol×K | 583.42 | Joback Calculated Property |
| η | [0.0003089; 0.0075086] | Pa×s | [195.65; 407.78] |
|
| η | 0.0075086 | Pa×s | 195.65 | Joback Calculated Property |
| η | 0.0029368 | Pa×s | 231.00 | Joback Calculated Property |
| η | 0.0014738 | Pa×s | 266.36 | Joback Calculated Property |
| η | 0.0008693 | Pa×s | 301.72 | Joback Calculated Property |
| η | 0.0005728 | Pa×s | 337.07 | Joback Calculated Property |
| η | 0.0004085 | Pa×s | 372.42 | Joback Calculated Property |
| η | 0.0003089 | Pa×s | 407.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexanal, 5-methyl-.
Sources
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