- InChI
- InChI=1S/C9H20O/c1-4-6-7-8-9(3,10)5-2/h10H,4-8H2,1-3H3
- InChI Key
- JEWXYDDSLPIBBO-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CCCCCC(C)(O)CC
- Molecular Weight1
- 144.25
- CAS
- 5340-36-3
- Other Names
-
- 2-Ethyl-2-heptanol
- 3-Methyl-3-octanol
- 3-Methyloctan-3-ol
- Amylethylmethylcarbinol
- Aprol 161
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.6506 | Relay (1.0) Calculated Property | |
| ΔfG° | -109.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -420.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.728 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2574.11 | kPa | Joback Calculated Property |
| Tboil | 450.23 | K | Relay (1.0) Calculated Property |
| Tc | 635.66 | K | Relay (1.0) Calculated Property |
| Tfus | 250.48 | K | Relay (1.0) Calculated Property |
| Vc | 0.533 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.27; 408.65] | J/mol×K | [494.27; 662.00] | 
|
| Cp,gas | 337.27 | J/mol×K | 494.27 | Joback Calculated Property |
| Cp,gas | 350.61 | J/mol×K | 522.22 | Joback Calculated Property |
| Cp,gas | 363.35 | J/mol×K | 550.18 | Joback Calculated Property |
| Cp,gas | 375.49 | J/mol×K | 578.13 | Joback Calculated Property |
| Cp,gas | 387.08 | J/mol×K | 606.09 | Joback Calculated Property |
| Cp,gas | 398.12 | J/mol×K | 634.04 | Joback Calculated Property |
| Cp,gas | 408.65 | J/mol×K | 662.00 | Joback Calculated Property |
| η | [0.0001471; 0.0562745] | Pa×s | [254.43; 494.27] |
|
| η | 0.0562745 | Pa×s | 254.43 | Joback Calculated Property |
| η | 0.0106579 | Pa×s | 294.40 | Joback Calculated Property |
| η | 0.0030048 | Pa×s | 334.38 | Joback Calculated Property |
| η | 0.0011101 | Pa×s | 374.35 | Joback Calculated Property |
| η | 0.0004970 | Pa×s | 414.32 | Joback Calculated Property |
| η | 0.0002563 | Pa×s | 454.30 | Joback Calculated Property |
| η | 0.0001471 | Pa×s | 494.27 | Joback Calculated Property |
| ΔvapH | 53.20 | kJ/mol | 370.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [351.00; 493.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52842e+01 | |||
| Coefficient B | -4.24943e+03 | |||
| Coefficient C | -6.76400e+01 | |||
| Temperature range, min. | 351.00 | |||
| Temperature range, max. | 493.75 | |||
| Pvap | 1.33 | kPa | 351.00 | Calculated Property |
| Pvap | 2.95 | kPa | 366.86 | Calculated Property |
| Pvap | 6.03 | kPa | 382.72 | Calculated Property |
| Pvap | 11.52 | kPa | 398.58 | Calculated Property |
| Pvap | 20.72 | kPa | 414.44 | Calculated Property |
| Pvap | 35.41 | kPa | 430.31 | Calculated Property |
| Pvap | 57.85 | kPa | 446.17 | Calculated Property |
| Pvap | 90.87 | kPa | 462.03 | Calculated Property |
| Pvap | 137.83 | kPa | 477.89 | Calculated Property |
| Pvap | 202.67 | kPa | 493.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Octanol, 3-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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