- InChI
- InChI=1S/C10H22O/c1-5-7-8-9-11-10(3,4)6-2/h5-9H2,1-4H3
- InChI Key
- KFSYJTMPRJSZHA-UHFFFAOYSA-N
- Formula
- C10H22O
- SMILES
- CCCCCOC(C)(C)CC
- Molecular Weight1
- 158.28
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.4683 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -401.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.382 | Crippen Calculated Property | |
| McVol | 157.630 | ml/mol | McGowan Calculated Property |
| Pc | 2111.94 | kPa | Joback Calculated Property |
| Inp | 1004.00 | NIST | |
| Tboil | 439.21 | K | Relay (1.0) Calculated Property |
| Tc | 615.46 | K | Relay (1.0) Calculated Property |
| Tfus | 184.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.592 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.56; 555.21] | 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 | -5.17500e+00 | |||
| Coefficient B | 1.01648e+00 | |||
| Coefficient C | -5.81000e-04 | |||
| Coefficient D | 1.24900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 231.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 287.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 337.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 381.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 420.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 455.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 485.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 512.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 535.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 555.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0068881; 0.0002323] | Pa×s | [227.11; 434.02] |
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 | -1.20876e+01 | |||
| Coefficient B | 1.61467e+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. | 227.11 | |||
| Temperature range, max. | 434.02 | |||
| η | 0.0068881 | Pa×s | 227.11 | Calculated Property |
| η | 0.0035831 | Pa×s | 250.10 | Calculated Property |
| η | 0.0020808 | Pa×s | 273.09 | Calculated Property |
| η | 0.0013147 | Pa×s | 296.08 | Calculated Property |
| η | 0.0008875 | Pa×s | 319.07 | Calculated Property |
| η | 0.0006316 | Pa×s | 342.06 | Calculated Property |
| η | 0.0004692 | Pa×s | 365.05 | Calculated Property |
| η | 0.0003610 | Pa×s | 388.04 | Calculated Property |
| η | 0.0002861 | Pa×s | 411.03 | Calculated Property |
| η | 0.0002323 | Pa×s | 434.02 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentyl tert-pentyl ether.
Sources
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