Chemical Properties of Methanol, (tert-butyldioxy)- (CAS 17742-78-8)

InChI

InChI=1S/C6H14O2/c1-6(2,3)4-8-5-7/h7H,4-5H2,1-3H3

InChI Key

XGHIDKRPCLIRGX-UHFFFAOYSA-N

Formula

C5H12O3

SMILES

CC(C)(C)COCO

Molecular Weight¹

120.15

CAS

17742-78-8

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.21; 367.51]	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			3.75200e+00
Coefficient B			6.70460e-01
Coefficient C			-3.93800e-04
Coefficient D			8.71000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.21	J/mol×K	273.00	Calculated Property
Cp,gas	195.51	J/mol×K	353.78	Calculated Property
Cp,gas	227.89	J/mol×K	434.56	Calculated Property
Cp,gas	256.60	J/mol×K	515.33	Calculated Property
Cp,gas	281.93	J/mol×K	596.11	Calculated Property
Cp,gas	304.16	J/mol×K	676.89	Calculated Property
Cp,gas	323.56	J/mol×K	757.67	Calculated Property
Cp,gas	340.40	J/mol×K	838.44	Calculated Property
Cp,gas	354.96	J/mol×K	919.22	Calculated Property
Cp,gas	367.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0527584; 0.0002492]	Pa×s	[242.85; 433.45]	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			-1.51208e+01
Coefficient B			2.95762e+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.			242.85
Temperature range, max.			433.45
η	0.0527584	Pa×s	242.85	Calculated Property
η	0.0198631	Pa×s	264.03	Calculated Property
η	0.0086458	Pa×s	285.21	Calculated Property
η	0.0042219	Pa×s	306.38	Calculated Property
η	0.0022618	Pa×s	327.56	Calculated Property
η	0.0013071	Pa×s	348.74	Calculated Property
η	0.0008044	Pa×s	369.92	Calculated Property
η	0.0005217	Pa×s	391.09	Calculated Property
η	0.0003538	Pa×s	412.27	Calculated Property
η	0.0002492	Pa×s	433.45	Calculated Property

Similar Compounds

Find more compounds similar to Methanol, (tert-butyldioxy)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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