- 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° | 66.40 | 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 | 638.65 | K | Relay (1.0) Calculated Property |
| Tfus | 244.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.536 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 53.20 | kJ/mol | 370.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.45; 503.78] | 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 | -2.44750e+01 | |||
| Coefficient B | 1.01866e+00 | |||
| Coefficient C | -6.68000e-04 | |||
| Coefficient D | 1.77600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 207.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 260.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 306.62 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 347.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 383.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 414.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 441.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 464.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 485.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 503.78 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0562745; 0.0002234] | Pa×s | [254.43; 463.59] |
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 | -1.51324e+01 | |||
| Coefficient B | 3.11801e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 254.43 | |||
| Temperature range, max. | 463.59 | |||
| η | 0.0562745 | Pa×s | 254.43 | Calculated Property |
| η | 0.0201776 | Pa×s | 277.67 | Calculated Property |
| η | 0.0084767 | Pa×s | 300.91 | Calculated Property |
| η | 0.0040327 | Pa×s | 324.15 | Calculated Property |
| η | 0.0021190 | Pa×s | 347.39 | Calculated Property |
| η | 0.0012070 | Pa×s | 370.63 | Calculated Property |
| η | 0.0007347 | Pa×s | 393.87 | Calculated Property |
| η | 0.0004727 | Pa×s | 417.11 | Calculated Property |
| η | 0.0003186 | Pa×s | 440.35 | Calculated Property |
| η | 0.0002234 | Pa×s | 463.59 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [351.00; 493.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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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