Chemical Properties of Propane, 2,2-bis(tert-butyloxy)-

InChI

InChI=1S/C11H24O2/c1-9(2,3)12-11(7,8)13-10(4,5)6/h1-8H3

InChI Key

MJMULMSFDFSXNW-UHFFFAOYSA-N

Formula

C11H24O2

SMILES

CC(C)(C)OC(C)(C)OC(C)(C)C

Molecular Weight¹

188.31

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-615.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	4.38	kJ/mol	Joback Calculated Property
ΔvapH°	51.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
logPoct/wat	3.353		Crippen Calculated Property
McVol	177.590	ml/mol	McGowan Calculated Property
Pc	1973.55	kPa	Joback Calculated Property
Inp	[1107.00; 1107.00]
Inp	1107.00		NIST
Inp	1107.00		NIST
Tboil	437.17	K	Relay (1.0) Calculated Property
Tc	603.59	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[265.26; 628.23]	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			-2.95300e+01
Coefficient B			1.29996e+00
Coefficient C			-8.68000e-04
Coefficient D			2.25800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	265.26	J/mol×K	273.00	Calculated Property
Cp,gas	331.73	J/mol×K	353.78	Calculated Property
Cp,gas	389.99	J/mol×K	434.56	Calculated Property
Cp,gas	440.77	J/mol×K	515.33	Calculated Property
Cp,gas	484.78	J/mol×K	596.11	Calculated Property
Cp,gas	522.73	J/mol×K	676.89	Calculated Property
Cp,gas	555.33	J/mol×K	757.67	Calculated Property
Cp,gas	583.31	J/mol×K	838.44	Calculated Property
Cp,gas	607.37	J/mol×K	919.22	Calculated Property
Cp,gas	628.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0077725; 0.0001668]	Pa×s	[265.45; 474.93]	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			-1.35669e+01
Coefficient B			2.31200e+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.			265.45
Temperature range, max.			474.93
η	0.0077725	Pa×s	265.45	Calculated Property
η	0.0038515	Pa×s	288.73	Calculated Property
η	0.0021193	Pa×s	312.00	Calculated Property
η	0.0012670	Pa×s	335.28	Calculated Property
η	0.0008098	Pa×s	358.55	Calculated Property
η	0.0005466	Pa×s	381.83	Calculated Property
η	0.0003860	Pa×s	405.10	Calculated Property
η	0.0002831	Pa×s	428.38	Calculated Property
η	0.0002143	Pa×s	451.65	Calculated Property
η	0.0001668	Pa×s	474.93	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2,2-bis(tert-butyloxy)-.

Sources

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

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