- InChI
- InChI=1S/C8H16O/c1-8(2)6-4-3-5-7-9/h7-8H,3-6H2,1-2H3
- InChI Key
- LCEHKIHBHIJPCD-UHFFFAOYSA-N
- Formula
- C8H16O
- SMILES
- CC(C)CCCCC=O
- Molecular Weight1
- 128.21
- CAS
- 63885-09-6
- Other Names
-
- Heptanal, 6-methyl-
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.4667 | Relay (1.0) Calculated Property | |
| ΔfG° | -85.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -318.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.34 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.402 | Crippen Calculated Property | |
| McVol | 125.150 | ml/mol | McGowan Calculated Property |
| Pc | 2758.46 | kPa | Joback Calculated Property |
| Inp | 948.00 | NIST | |
| Tboil | 436.17 | K | Relay (1.0) Calculated Property |
| Tc | 622.96 | K | Relay (1.0) Calculated Property |
| Tfus | 231.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.454 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [256.75; 324.51] | J/mol×K | [430.66; 605.22] | 
|
| Cp,gas | 256.75 | J/mol×K | 430.66 | Joback Calculated Property |
| Cp,gas | 269.26 | J/mol×K | 459.75 | Joback Calculated Property |
| Cp,gas | 281.26 | J/mol×K | 488.85 | Joback Calculated Property |
| Cp,gas | 292.77 | J/mol×K | 517.94 | Joback Calculated Property |
| Cp,gas | 303.81 | J/mol×K | 547.04 | Joback Calculated Property |
| Cp,gas | 314.39 | J/mol×K | 576.13 | Joback Calculated Property |
| Cp,gas | 324.51 | J/mol×K | 605.22 | Joback Calculated Property |
| η | [0.0003026; 0.0077983] | Pa×s | [206.92; 430.66] |
|
| η | 0.0077983 | Pa×s | 206.92 | Joback Calculated Property |
| η | 0.0030008 | Pa×s | 244.21 | Joback Calculated Property |
| η | 0.0014872 | Pa×s | 281.50 | Joback Calculated Property |
| η | 0.0008686 | Pa×s | 318.79 | Joback Calculated Property |
| η | 0.0005678 | Pa×s | 356.08 | Joback Calculated Property |
| η | 0.0004023 | Pa×s | 393.37 | Joback Calculated Property |
| η | 0.0003026 | Pa×s | 430.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methylheptanal.
Sources
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