- InChI
- InChI=1S/C9H20O/c1-4-5-6-7-8(2)9(3)10/h8-10H,4-7H2,1-3H3
- InChI Key
- WQADSKJNOTZWML-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CCCCCC(C)C(C)O
- Molecular Weight1
- 144.25
- CAS
- 27644-49-1
- 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).
- 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 | 0.6217 | Relay (1.0) Calculated Property | |
| ΔfG° | -116.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -414.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.47 | 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 | 454.54 | K | Relay (1.0) Calculated Property |
| Tc | 638.18 | K | Relay (1.0) Calculated Property |
| Tfus | 231.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.28; 503.39] | 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 | -3.36600e+00 | |||
| Coefficient B | 9.04660e-01 | |||
| Coefficient C | -5.02600e-04 | |||
| Coefficient D | 1.04700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 208.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 258.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 303.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 343.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 379.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 411.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 439.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 463.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 484.86 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 503.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.2091511; 0.0002046] | Pa×s | [222.01; 463.45] |
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 | -1.48664e+01 | |||
| Coefficient B | 2.95311e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 222.01 | |||
| Temperature range, max. | 463.45 | |||
| η | 0.2091511 | Pa×s | 222.01 | Calculated Property |
| η | 0.0498493 | Pa×s | 248.84 | Calculated Property |
| η | 0.0157064 | Pa×s | 275.66 | Calculated Property |
| η | 0.0060738 | Pa×s | 302.49 | Calculated Property |
| η | 0.0027420 | Pa×s | 329.32 | Calculated Property |
| η | 0.0013955 | Pa×s | 356.15 | Calculated Property |
| η | 0.0007807 | Pa×s | 382.97 | Calculated Property |
| η | 0.0004712 | Pa×s | 409.80 | Calculated Property |
| η | 0.0003027 | Pa×s | 436.63 | Calculated Property |
| η | 0.0002046 | Pa×s | 463.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Octanol, 3-methyl-.
Sources
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