- InChI
- InChI=1S/C8H18O/c1-4-6-7-9-8(3)5-2/h8H,4-7H2,1-3H3
- InChI Key
- LPVMPBNUHJKNHA-UHFFFAOYSA-N
- Formula
- C8H18O
- SMILES
- CCCCOC(C)CC
- 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).
- 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 | 0.4290 | Relay (1.0) Calculated Property | |
| ΔfG° | -90.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -347.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.602 | Crippen Calculated Property | |
| McVol | 129.450 | ml/mol | McGowan Calculated Property |
| Pc | 2512.55 | kPa | Joback Calculated Property |
| Tboil | 401.98 | K | Relay (1.0) Calculated Property |
| Tc | 571.52 | K | Relay (1.0) Calculated Property |
| Tfus | 166.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.489 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.28; 451.09] | 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 | 1.94340e+01 | |||
| Coefficient B | 7.06560e-01 | |||
| Coefficient C | -3.03600e-04 | |||
| Coefficient D | 2.87000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 190.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 271.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 306.85 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 338.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 367.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 392.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 415.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 434.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 451.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0071085; 0.0002181] | Pa×s | [187.15; 400.63] |
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 | -1.14847e+01 | |||
| Coefficient B | 1.22363e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 187.15 | |||
| Temperature range, max. | 400.63 | |||
| η | 0.0071085 | Pa×s | 187.15 | Calculated Property |
| η | 0.0034071 | Pa×s | 210.87 | Calculated Property |
| η | 0.0018948 | Pa×s | 234.59 | Calculated Property |
| η | 0.0011737 | Pa×s | 258.31 | Calculated Property |
| η | 0.0007880 | Pa×s | 282.03 | Calculated Property |
| η | 0.0005628 | Pa×s | 305.75 | Calculated Property |
| η | 0.0004219 | Pa×s | 329.47 | Calculated Property |
| η | 0.0003288 | Pa×s | 353.19 | Calculated Property |
| η | 0.0002644 | Pa×s | 376.91 | Calculated Property |
| η | 0.0002181 | Pa×s | 400.63 | Calculated Property |
Similar Compounds
Find more compounds similar to Butane, 1-(1-methylpropoxy)-.
Sources
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