Chemical Properties of Isobutyl tert-pentyl ether

InChI

InChI=1S/C9H20O/c1-6-9(4,5)10-7-8(2)3/h8H,6-7H2,1-5H3

InChI Key

YCTKEFKHNQHDPW-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CCC(C)(C)OCC(C)C

Molecular Weight¹

144.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[210.04; 504.15]	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			-5.94800e+00
Coefficient B			9.27400e-01
Coefficient C			-5.29800e-04
Coefficient D			1.12500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.04	J/mol×K	273.00	Calculated Property
Cp,gas	260.82	J/mol×K	353.78	Calculated Property
Cp,gas	306.24	J/mol×K	434.56	Calculated Property
Cp,gas	346.67	J/mol×K	515.33	Calculated Property
Cp,gas	382.45	J/mol×K	596.11	Calculated Property
Cp,gas	413.95	J/mol×K	676.89	Calculated Property
Cp,gas	441.51	J/mol×K	757.67	Calculated Property
Cp,gas	465.49	J/mol×K	838.44	Calculated Property
Cp,gas	486.25	J/mol×K	919.22	Calculated Property
Cp,gas	504.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0128253; 0.0002213]	Pa×s	[200.84; 421.23]	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			-1.21154e+01
Coefficient B			1.55833e+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.			200.84
Temperature range, max.			421.23
η	0.0128253	Pa×s	200.84	Calculated Property
η	0.0055190	Pa×s	225.33	Calculated Property
η	0.0028018	Pa×s	249.82	Calculated Property
η	0.0016054	Pa×s	274.30	Calculated Property
η	0.0010078	Pa×s	298.79	Calculated Property
η	0.0006789	Pa×s	323.28	Calculated Property
η	0.0004835	Pa×s	347.77	Calculated Property
η	0.0003601	Pa×s	372.26	Calculated Property
η	0.0002781	Pa×s	396.74	Calculated Property
η	0.0002213	Pa×s	421.23	Calculated Property

Similar Compounds

Find more compounds similar to Isobutyl tert-pentyl ether.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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