- InChI
- InChI=1S/C9H20O/c1-4-5-6-9(10)7-8(2)3/h8-10H,4-7H2,1-3H3
- InChI Key
- BIAVIOIDPRPYJK-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CCCCC(O)CC(C)C
- Molecular Weight1
- 144.25
- CAS
- 40575-41-5
- Other Names
-
- 2-Methyl-4-octanol
- 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 | 0.6249 | Relay (1.0) Calculated Property | |
| ΔfG° | -116.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -410.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.584 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2566.29 | kPa | Joback Calculated Property |
| Tboil | 452.24 | K | Relay (1.0) Calculated Property |
| Tc | 628.24 | K | Relay (1.0) Calculated Property |
| Tfus | 250.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.538 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.77; 405.56] | J/mol×K | [496.62; 661.81] | 
|
| Cp,gas | 334.77 | J/mol×K | 496.62 | Joback Calculated Property |
| Cp,gas | 347.81 | J/mol×K | 524.15 | Joback Calculated Property |
| Cp,gas | 360.33 | J/mol×K | 551.68 | Joback Calculated Property |
| Cp,gas | 372.35 | J/mol×K | 579.21 | Joback Calculated Property |
| Cp,gas | 383.89 | J/mol×K | 606.75 | Joback Calculated Property |
| Cp,gas | 394.96 | J/mol×K | 634.28 | Joback Calculated Property |
| Cp,gas | 405.56 | J/mol×K | 661.81 | Joback Calculated Property |
| η | [0.0001337; 0.2091511] | Pa×s | [222.01; 496.62] |
|
| η | 0.2091511 | Pa×s | 222.01 | Joback Calculated Property |
| η | 0.0215322 | Pa×s | 267.78 | Joback Calculated Property |
| η | 0.0043049 | Pa×s | 313.55 | Joback Calculated Property |
| η | 0.0012970 | Pa×s | 359.31 | Joback Calculated Property |
| η | 0.0005125 | Pa×s | 405.08 | Joback Calculated Property |
| η | 0.0002445 | Pa×s | 450.85 | Joback Calculated Property |
| η | 0.0001337 | Pa×s | 496.62 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [352.72; 493.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.54889e+01 | |||
| Coefficient B | -4.32451e+03 | |||
| Coefficient C | -6.82380e+01 | |||
| Temperature range, min. | 352.72 | |||
| Temperature range, max. | 493.15 | |||
| Pvap | 1.33 | kPa | 352.72 | Calculated Property |
| Pvap | 2.94 | kPa | 368.32 | Calculated Property |
| Pvap | 5.99 | kPa | 383.93 | Calculated Property |
| Pvap | 11.42 | kPa | 399.53 | Calculated Property |
| Pvap | 20.55 | kPa | 415.13 | Calculated Property |
| Pvap | 35.14 | kPa | 430.74 | Calculated Property |
| Pvap | 57.49 | kPa | 446.34 | Calculated Property |
| Pvap | 90.45 | kPa | 461.94 | Calculated Property |
| Pvap | 137.49 | kPa | 477.55 | Calculated Property |
| Pvap | 202.66 | kPa | 493.15 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Octanol, 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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