- InChI
- InChI=1S/C10H20O/c1-3-10(2)8-6-4-5-7-9-11/h9-10H,3-8H2,1-2H3
- InChI Key
- VQUWUMZTVSFSMW-UHFFFAOYSA-N
- Formula
- C10H20O
- SMILES
- CCC(C)CCCCCC=O
- Molecular Weight1
- 156.27
- CAS
- ---
- 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.
- 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 | 0.5326 | Relay (1.0) Calculated Property | |
| ΔfG° | -68.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.182 | Crippen Calculated Property | |
| McVol | 153.330 | ml/mol | McGowan Calculated Property |
| Pc | 2276.24 | kPa | Joback Calculated Property |
| Inp | [1185.00; 1185.00] |
|
|
| Inp | 1185.00 | NIST | |
| Inp | 1185.00 | NIST | |
| Tboil | 476.98 | K | Relay (1.0) Calculated Property |
| Tc | 667.79 | K | Relay (1.0) Calculated Property |
| Tfus | 236.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.557 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [222.22; 526.56] | 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 | 3.51600e+00 | |||
| Coefficient B | 9.34240e-01 | |||
| Coefficient C | -5.16400e-04 | |||
| Coefficient D | 1.05200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 222.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 274.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 320.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 362.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 399.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 431.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 460.67 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 485.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 507.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 526.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0078468; 0.0003210] | Pa×s | [229.46; 454.13] |
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 | -1.13084e+01 | |||
| Coefficient B | 1.48249e+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. | 229.46 | |||
| Temperature range, max. | 454.13 | |||
| η | 0.0078468 | Pa×s | 229.46 | Calculated Property |
| η | 0.0041628 | Pa×s | 254.42 | Calculated Property |
| η | 0.0024733 | Pa×s | 279.39 | Calculated Property |
| η | 0.0016005 | Pa×s | 304.35 | Calculated Property |
| η | 0.0011064 | Pa×s | 329.31 | Calculated Property |
| η | 0.0008056 | Pa×s | 354.28 | Calculated Property |
| η | 0.0006117 | Pa×s | 379.24 | Calculated Property |
| η | 0.0004805 | Pa×s | 404.20 | Calculated Property |
| η | 0.0003882 | Pa×s | 429.17 | Calculated Property |
| η | 0.0003210 | Pa×s | 454.13 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [363.32; 512.90] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50403e+01 | |||
| Coefficient B | -4.27329e+03 | |||
| Coefficient C | -7.36590e+01 | |||
| Temperature range, min. | 363.32 | |||
| Temperature range, max. | 512.90 | |||
| Pvap | 1.33 | kPa | 363.32 | Calculated Property |
| Pvap | 2.97 | kPa | 379.94 | Calculated Property |
| Pvap | 6.09 | kPa | 396.56 | Calculated Property |
| Pvap | 11.64 | kPa | 413.18 | Calculated Property |
| Pvap | 20.94 | kPa | 429.80 | Calculated Property |
| Pvap | 35.75 | kPa | 446.42 | Calculated Property |
| Pvap | 58.31 | kPa | 463.04 | Calculated Property |
| Pvap | 91.38 | kPa | 479.66 | Calculated Property |
| Pvap | 138.23 | kPa | 496.28 | Calculated Property |
| Pvap | 202.66 | kPa | 512.90 | Calculated Property |
Similar Compounds
Find more compounds similar to 7-Methylnonanal.
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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