- InChI
- InChI=1S/C9H18O/c1-3-9(2)7-5-4-6-8-10/h8-9H,3-7H2,1-2H3
- InChI Key
- ANZKSSJWPUCGOP-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- CCC(C)CCCCC=O
- Molecular Weight1
- 142.24
- CAS
- 30689-75-9
- Other Names
-
- Octanal, 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).
- 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 |
|---|---|---|---|
| ω | 0.4924 | Relay (1.0) Calculated Property | |
| ΔfG° | -77.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -344.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.792 | Crippen Calculated Property | |
| McVol | 139.240 | ml/mol | McGowan Calculated Property |
| Pc | 2500.00 | kPa | Joback Calculated Property |
| Inp | 1058.00 | NIST | |
| I | [1357.00; 1358.00] |
|
|
| I | 1358.00 | NIST | |
| I | 1357.00 | NIST | |
| Tboil | 457.76 | K | Relay (1.0) Calculated Property |
| Tc | 649.47 | K | Relay (1.0) Calculated Property |
| Tfus | 224.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.501 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.00; 474.96] | 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 | 4.42500e+00 | |||
| Coefficient B | 8.39240e-01 | |||
| Coefficient C | -4.62000e-04 | |||
| Coefficient D | 9.33000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 201.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 247.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 289.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 326.99 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 360.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 389.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 415.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 438.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 457.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 474.96 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0079029; 0.0003220] | Pa×s | [218.19; 439.02] |
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 | -1.12035e+01 | |||
| Coefficient B | 1.38833e+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. | 218.19 | |||
| Temperature range, max. | 439.02 | |||
| η | 0.0079029 | Pa×s | 218.19 | Calculated Property |
| η | 0.0041538 | Pa×s | 242.73 | Calculated Property |
| η | 0.0024569 | Pa×s | 267.26 | Calculated Property |
| η | 0.0015874 | Pa×s | 291.80 | Calculated Property |
| η | 0.0010975 | Pa×s | 316.34 | Calculated Property |
| η | 0.0008003 | Pa×s | 340.87 | Calculated Property |
| η | 0.0006088 | Pa×s | 365.41 | Calculated Property |
| η | 0.0004793 | Pa×s | 389.94 | Calculated Property |
| η | 0.0003882 | Pa×s | 414.48 | Calculated Property |
| η | 0.0003220 | Pa×s | 439.02 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [347.48; 490.98] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50903e+01 | |||
| Coefficient B | -4.13479e+03 | |||
| Coefficient C | -6.81540e+01 | |||
| Temperature range, min. | 347.48 | |||
| Temperature range, max. | 490.98 | |||
| Pvap | 1.33 | kPa | 347.48 | Calculated Property |
| Pvap | 2.97 | kPa | 363.42 | Calculated Property |
| Pvap | 6.08 | kPa | 379.37 | Calculated Property |
| Pvap | 11.61 | kPa | 395.31 | Calculated Property |
| Pvap | 20.89 | kPa | 411.26 | Calculated Property |
| Pvap | 35.67 | kPa | 427.20 | Calculated Property |
| Pvap | 58.21 | kPa | 443.15 | Calculated Property |
| Pvap | 91.26 | kPa | 459.09 | Calculated Property |
| Pvap | 138.13 | kPa | 475.04 | Calculated Property |
| Pvap | 202.63 | kPa | 490.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methyloctanal.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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