- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4229 | Relay (1.0) Calculated Property | |
| ΔfG° | -93.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.73 | Relay (1.0) 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 | 413.21 | K | Relay (1.0) Calculated Property |
| Tc | 603.94 | K | Relay (1.0) Calculated Property |
| Tfus | 214.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.404 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.58; 371.78] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.24300e+00 | |||
| Coefficient B | 6.49240e-01 | |||
| Coefficient C | -3.53200e-04 | |||
| Coefficient D | 6.95000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 158.58 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 227.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 256.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 282.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 305.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 325.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 343.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 358.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 371.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0075086; 0.0003071] | Pa×s | [195.65; 408.59] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.10252e+01 | |||
| Coefficient B | 1.20001e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 195.65 | |||
| Temperature range, max. | 408.59 | |||
| η | 0.0075086 | Pa×s | 195.65 | Calculated Property |
| η | 0.0038742 | Pa×s | 219.31 | Calculated Property |
| η | 0.0022739 | Pa×s | 242.97 | Calculated Property |
| η | 0.0014670 | Pa×s | 266.63 | Calculated Property |
| η | 0.0010166 | Pa×s | 290.29 | Calculated Property |
| η | 0.0007444 | Pa×s | 313.95 | Calculated Property |
| η | 0.0005695 | Pa×s | 337.61 | Calculated Property |
| η | 0.0004512 | Pa×s | 361.27 | Calculated Property |
| η | 0.0003679 | Pa×s | 384.93 | Calculated Property |
| η | 0.0003071 | Pa×s | 408.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexanal, 5-methyl-.
Sources
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