Chemical Properties of Propyl tert-butyl ether (CAS 29072-93-3)

InChI

InChI=1S/C7H16O/c1-5-6-8-7(2,3)4/h5-6H2,1-4H3

InChI Key

FITVQUMLGWRKKG-UHFFFAOYSA-N

Formula

C7H16O

SMILES

CCCOC(C)(C)C

Molecular Weight¹

116.20

CAS

29072-93-3

Other Names

• 2-methyl-2-propoxypropane
• Propane, 2-methyl-2-propoxy-
• propyl 1,1-dimethylethyl ether
• tert-butyl propyl ether

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.3391		Relay (1.0) Calculated Property
ΔfG°	-94.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-340.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.66	kJ/mol	Joback Calculated Property
ΔvapH°	[36.60; 38.30]	kJ/mol
ΔvapH°	38.30	kJ/mol	NIST
ΔvapH°	37.20 ± 0.60	kJ/mol	NIST
ΔvapH°	36.60 ± 0.20	kJ/mol	NIST
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-1.31		Relay (1.0) Calculated Property
logPoct/wat	2.212		Crippen Calculated Property
McVol	115.360	ml/mol	McGowan Calculated Property
Pc	2805.41	kPa	Joback Calculated Property
Inp	[704.00; 710.00]
Inp	704.40		NIST
Inp	704.00		NIST
Inp	710.00		NIST
Inp	704.40		NIST
Tboil	370.60 ± 0.30	K	NIST
Tc	521.80	K	Relay (1.0) Calculated Property
Tfus	165.85	K	Relay (1.0) Calculated Property
Vc	0.431	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.51; 289.71]	J/mol×K	[378.75; 553.95]
Cp,gas	219.51	J/mol×K	378.75	Joback Calculated Property
Cp,gas	232.48	J/mol×K	407.95	Joback Calculated Property
Cp,gas	244.93	J/mol×K	437.15	Joback Calculated Property
Cp,gas	256.86	J/mol×K	466.35	Joback Calculated Property
Cp,gas	268.29	J/mol×K	495.55	Joback Calculated Property
Cp,gas	279.24	J/mol×K	524.75	Joback Calculated Property
Cp,gas	289.71	J/mol×K	553.95	Joback Calculated Property
η	[0.0002529; 0.0073885]	Pa×s	[193.30; 378.75]
η	0.0073885	Pa×s	193.30	Joback Calculated Property
η	0.0028572	Pa×s	224.21	Joback Calculated Property
η	0.0013910	Pa×s	255.12	Joback Calculated Property
η	0.0007911	Pa×s	286.02	Joback Calculated Property
η	0.0005023	Pa×s	316.93	Joback Calculated Property
η	0.0003458	Pa×s	347.84	Joback Calculated Property
η	0.0002529	Pa×s	378.75	Joback Calculated Property
ΔfusH	9.87	kJ/mol	179.60	NIST

Similar Compounds

Find more compounds similar to Propyl tert-butyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamic Analysis of the Experimental Equilibria for the Liquid-Phase Etherification of Isobutene with C1 to C4 Linear Primary Alcohols
• Joback Method
• McGowan Method
• NIST Webbook

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