- InChI
- InChI=1S/C10H22O/c1-4-5-6-7-8-10(11)9(2)3/h9-11H,4-8H2,1-3H3
- InChI Key
- OFIYMUXECPHIPZ-UHFFFAOYSA-N
- Formula
- C10H22O
- SMILES
- CCCCCCC(O)C(C)C
- Molecular Weight1
- 158.28
- CAS
- 26533-33-5
- Other Names
-
- 2-Methyl-3-nonanol
- 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 | 0.6663 | Relay (1.0) Calculated Property | |
| ΔfG° | -108.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.82 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.974 | Crippen Calculated Property | |
| McVol | 157.630 | ml/mol | McGowan Calculated Property |
| Pc | 2333.78 | kPa | Joback Calculated Property |
| Tboil | [473.15; 481.55] | K |
|
| Tboil | 481.55 ± 1.00 | K | NIST |
| Tboil | 473.15 ± 4.00 | K | NIST |
| Tc | 657.31 | K | Relay (1.0) Calculated Property |
| Tfus | 273.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.49; 554.99] | 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 | -4.27500e+00 | |||
| Coefficient B | 9.99660e-01 | |||
| Coefficient C | -5.57000e-04 | |||
| Coefficient D | 1.16600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 229.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 284.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 334.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 378.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 418.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 453.34 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 484.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 511.05 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 534.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 554.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.1480969; 0.0001826] | Pa×s | [233.28; 478.81] |
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 | -1.49726e+01 | |||
| Coefficient B | 3.04727e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 233.28 | |||
| Temperature range, max. | 478.81 | |||
| η | 0.1480969 | Pa×s | 233.28 | Calculated Property |
| η | 0.0377199 | Pa×s | 260.56 | Calculated Property |
| η | 0.0124505 | Pa×s | 287.84 | Calculated Property |
| η | 0.0049791 | Pa×s | 315.12 | Calculated Property |
| η | 0.0023043 | Pa×s | 342.40 | Calculated Property |
| η | 0.0011949 | Pa×s | 369.69 | Calculated Property |
| η | 0.0006781 | Pa×s | 396.97 | Calculated Property |
| η | 0.0004139 | Pa×s | 424.25 | Calculated Property |
| η | 0.0002682 | Pa×s | 451.53 | Calculated Property |
| η | 0.0001826 | Pa×s | 478.81 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [372.24; 506.98] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.63938e+01 | |||
| Coefficient B | -4.78707e+03 | |||
| Coefficient C | -7.50210e+01 | |||
| Temperature range, min. | 372.24 | |||
| Temperature range, max. | 506.98 | |||
| Pvap | 1.33 | kPa | 372.24 | Calculated Property |
| Pvap | 2.89 | kPa | 387.21 | Calculated Property |
| Pvap | 5.82 | kPa | 402.18 | Calculated Property |
| Pvap | 11.04 | kPa | 417.15 | Calculated Property |
| Pvap | 19.86 | kPa | 432.12 | Calculated Property |
| Pvap | 34.05 | kPa | 447.10 | Calculated Property |
| Pvap | 56.01 | kPa | 462.07 | Calculated Property |
| Pvap | 88.78 | kPa | 477.04 | Calculated Property |
| Pvap | 136.14 | kPa | 492.01 | Calculated Property |
| Pvap | 202.67 | kPa | 506.98 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Nonanol, 2-methyl-.
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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