- InChI
- InChI=1S/C11H24O/c1-4-6-7-11(5-2)9-8-10(3)12/h10-12H,4-9H2,1-3H3
- InChI Key
- WYXKGYXADPUOOM-UHFFFAOYSA-N
- Formula
- C11H24O
- SMILES
- CCCCC(CC)CCC(C)O
- Molecular Weight1
- 172.31
- CAS
- 103-08-2
- Other Names
-
- (3-Ethyl-n-heptyl)methylcarbinol
- 5-Ethyl-2-nonanol
- 5-ethylnonan-2-ol
- 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).
- 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 | 0.6843 | Relay (1.0) Calculated Property | |
| ΔfG° | -99.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -460.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.364 | Crippen Calculated Property | |
| McVol | 171.720 | ml/mol | McGowan Calculated Property |
| Pc | 2131.49 | kPa | Joback Calculated Property |
| Tboil | 498.00 ± 4.00 | K | NIST |
| Tc | 668.39 | K | Relay (1.0) Calculated Property |
| Tfus | 234.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.625 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [250.71; 606.58] | 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 | -5.18400e+00 | |||
| Coefficient B | 1.09466e+00 | |||
| Coefficient C | -6.11400e-04 | |||
| Coefficient D | 1.28500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 250.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 311.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 365.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 414.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 457.31 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 495.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 529.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 558.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 584.25 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 606.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1063589; 0.0001615] | Pa×s | [244.55; 494.25] |
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 | -1.50867e+01 | |||
| Coefficient B | 3.14143e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 244.55 | |||
| Temperature range, max. | 494.25 | |||
| η | 0.1063589 | Pa×s | 244.55 | Calculated Property |
| η | 0.0287303 | Pa×s | 272.29 | Calculated Property |
| η | 0.0098862 | Pa×s | 300.04 | Calculated Property |
| η | 0.0040752 | Pa×s | 327.78 | Calculated Property |
| η | 0.0019291 | Pa×s | 355.53 | Calculated Property |
| η | 0.0010176 | Pa×s | 383.27 | Calculated Property |
| η | 0.0005852 | Pa×s | 411.02 | Calculated Property |
| η | 0.0003609 | Pa×s | 438.76 | Calculated Property |
| η | 0.0002358 | Pa×s | 466.50 | Calculated Property |
| η | 0.0001615 | Pa×s | 494.25 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [385.40; 524.20] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.63800e+01 | |||
| Coefficient B | -4.92115e+03 | |||
| Coefficient C | -7.95940e+01 | |||
| Temperature range, min. | 385.40 | |||
| Temperature range, max. | 524.20 | |||
| Pvap | 1.33 | kPa | 385.40 | Calculated Property |
| Pvap | 2.89 | kPa | 400.82 | Calculated Property |
| Pvap | 5.82 | kPa | 416.24 | Calculated Property |
| Pvap | 11.05 | kPa | 431.67 | Calculated Property |
| Pvap | 19.86 | kPa | 447.09 | Calculated Property |
| Pvap | 34.06 | kPa | 462.51 | Calculated Property |
| Pvap | 56.03 | kPa | 477.93 | Calculated Property |
| Pvap | 88.79 | kPa | 493.36 | Calculated Property |
| Pvap | 136.14 | kPa | 508.78 | Calculated Property |
| Pvap | 202.64 | kPa | 524.20 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Nonanol, 5-ethyl-.
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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