- InChI
- InChI=1S/C8H18O/c1-4-8(5-6-9)7(2)3/h7-9H,4-6H2,1-3H3
- InChI Key
- RWIFVESHBHTZEM-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCC(CCO)C(C)C
- Molecular Weight1
- 130.23
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6008 | Relay (1.0) Calculated Property | |
| ΔfG° | -125.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -369.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.18 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -2.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.051 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| Inp | [1020.00; 1027.00] |
|
|
| Inp | 1023.20 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1027.00 | NIST | |
| Inp | 1020.00 | NIST | |
| Inp | 1023.20 | NIST | |
| Tboil | 455.63 | K | Relay (1.0) Calculated Property |
| Tc | 643.26 | K | Relay (1.0) Calculated Property |
| Tfus | 201.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.434 | m3/kmol | Relay (1.0) Calculated Property |
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Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [187.06; 451.80] | 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 | -2.45700e+00 | |||
| Coefficient B | 8.09660e-01 | |||
| Coefficient C | -4.48200e-04 | |||
| Coefficient D | 9.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 187.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.00 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 272.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 308.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 340.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 369.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 394.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 416.02 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 435.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 451.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.3001577; 0.0002271] | Pa×s | [210.74; 448.14] |
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 | -1.47697e+01 | |||
| Coefficient B | 2.85895e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 210.74 | |||
| Temperature range, max. | 448.14 | |||
| η | 0.3001577 | Pa×s | 210.74 | Calculated Property |
| η | 0.0663636 | Pa×s | 237.12 | Calculated Property |
| η | 0.0198489 | Pa×s | 263.50 | Calculated Property |
| η | 0.0073951 | Pa×s | 289.87 | Calculated Property |
| η | 0.0032485 | Pa×s | 316.25 | Calculated Property |
| η | 0.0016197 | Pa×s | 342.63 | Calculated Property |
| η | 0.0008920 | Pa×s | 369.01 | Calculated Property |
| η | 0.0005320 | Pa×s | 395.39 | Calculated Property |
| η | 0.0003385 | Pa×s | 421.76 | Calculated Property |
| η | 0.0002271 | Pa×s | 448.14 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethyl-4-methylpentan-1-ol.
Sources
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