- InChI
- InChI=1S/C9H20O/c1-5-6-7-8-10-9(2,3)4/h5-8H2,1-4H3
- InChI Key
- BWRSHLROMAZEBM-UHFFFAOYSA-N
- Formula
- C9H20O
- SMILES
- CCCCCOC(C)(C)C
- Molecular Weight1
- 144.25
- 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).
- 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 | 0.4301 | Relay (1.0) Calculated Property | |
| ΔfG° | -77.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -378.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.992 | Crippen Calculated Property | |
| McVol | 143.540 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | 902.00 | NIST | |
| Tboil | 412.06 | K | Relay (1.0) Calculated Property |
| Tc | 582.10 | K | Relay (1.0) Calculated Property |
| Tfus | 177.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.549 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [210.35; 503.61] | 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 | -4.26600e+00 | |||
| Coefficient B | 9.21480e-01 | |||
| Coefficient C | -5.26600e-04 | |||
| Coefficient D | 1.13000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 210.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 260.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 306.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 346.22 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 381.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 413.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 440.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 464.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 485.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 503.61 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0071777; 0.0002362] | Pa×s | [215.84; 418.80] |
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 | -1.19814e+01 | |||
| Coefficient B | 1.52051e+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. | 215.84 | |||
| Temperature range, max. | 418.80 | |||
| η | 0.0071777 | Pa×s | 215.84 | Calculated Property |
| η | 0.0036861 | Pa×s | 238.39 | Calculated Property |
| η | 0.0021241 | Pa×s | 260.94 | Calculated Property |
| η | 0.0013362 | Pa×s | 283.49 | Calculated Property |
| η | 0.0009000 | Pa×s | 306.04 | Calculated Property |
| η | 0.0006400 | Pa×s | 328.60 | Calculated Property |
| η | 0.0004754 | Pa×s | 351.15 | Calculated Property |
| η | 0.0003661 | Pa×s | 373.70 | Calculated Property |
| η | 0.0002904 | Pa×s | 396.25 | Calculated Property |
| η | 0.0002362 | Pa×s | 418.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentyl tert-butyl ether.
Sources
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