Chemical Properties of Propane, 2-methyl-2-(1-methylethoxy)- (CAS 17348-59-3)

InChI

InChI=1S/C7H16O/c1-6(2)8-7(3,4)5/h6H,1-5H3

InChI Key

HNFSPSWQNZVCTB-UHFFFAOYSA-N

Formula

C7H16O

SMILES

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

Molecular Weight¹

116.20

CAS

17348-59-3

Other Names

• (i-C3H7)O(t-C4H9)
• 1,1-dimethyl-1-isopropoxyethane
• 1-methylethyl 1,1-dimethylethyl ether
• 2,4,4-trimethyl-3-oxapentane
• 2-Methyl-2-(1-methylethoxy)propane
• 2-isopropoxy-2-methylpropane
• Ether, tert-butyl isopropyl
• ISOPROPYL-TERT-BUTYL ETHER
• Isopropyl tert-butyl ether
• ethane, 1,1-dimethyl-1-isopropoxy-
• ether, 1-methylethyl, 1,1-dimethylethyl
• ether, isopropyl tert-butyl
• tert-Butyl isopropyl ether

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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
PAff	870.70	kJ/mol	NIST
BasG	841.50	kJ/mol	NIST
ΔcH°liquid	-4648.30 ± 2.80	kJ/mol	NIST
ΔfG°	-96.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-358.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	-393.00 ± 3.00	kJ/mol	NIST
ΔfusH°	4.14	kJ/mol	Joback Calculated Property
ΔvapH°	[34.40; 36.20]	kJ/mol
ΔvapH°	34.67	kJ/mol	NIST
ΔvapH°	36.20	kJ/mol	NIST
ΔvapH°	34.40 ± 0.60	kJ/mol	NIST
ΔvapH°	34.50 ± 0.20	kJ/mol	NIST
ΔvapH°	35.10	kJ/mol	NIST
IE	9.20	eV	NIST
log10WS	-2.06		Crippen Calculated Property
logPoct/wat	2.210		Crippen Calculated Property
McVol	115.360	ml/mol	McGowan Calculated Property
Pc	2829.33	kPa	Joback Calculated Property
Inp	[631.00; 668.00]
Inp	644.60		NIST
Inp	643.50		NIST
Inp	665.00		NIST
Inp	631.00		NIST
Inp	636.00		NIST
Inp	668.00		NIST
Inp	665.00		NIST
Inp	644.60		NIST
I	[720.00; 724.00]
I	720.00		NIST
I	724.00		NIST
I	724.00		NIST
Tboil	[360.70; 360.80]	K
Tboil	360.80	K	NIST
Tboil	360.70	K	NIST
Tboil	360.80 ± 0.50	K	NIST
Tboil	360.80 ± 0.40	K	NIST
Tc	557.69	K	Joback Calculated Property
Tfus	185.08 ± 0.20	K	NIST
Vc	0.428	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.39; 291.56]	J/mol×K	[378.31; 557.69]
Cp,gas	219.39	J/mol×K	378.31	Joback Calculated Property
Cp,gas	232.76	J/mol×K	408.21	Joback Calculated Property
Cp,gas	245.58	J/mol×K	438.10	Joback Calculated Property
Cp,gas	257.86	J/mol×K	468.00	Joback Calculated Property
Cp,gas	269.60	J/mol×K	497.90	Joback Calculated Property
Cp,gas	280.83	J/mol×K	527.80	Joback Calculated Property
Cp,gas	291.56	J/mol×K	557.69	Joback Calculated Property
η	[0.0002455; 0.0142654]	Pa×s	[178.30; 378.31]
η	0.0142654	Pa×s	178.30	Joback Calculated Property
η	0.0042527	Pa×s	211.64	Joback Calculated Property
η	0.0017624	Pa×s	244.97	Joback Calculated Property
η	0.0009019	Pa×s	278.31	Joback Calculated Property
η	0.0005327	Pa×s	311.64	Joback Calculated Property
η	0.0003483	Pa×s	344.98	Joback Calculated Property
η	0.0002455	Pa×s	378.31	Joback Calculated Property
ΔfusH	8.46	kJ/mol	184.80	NIST
ΔvapH	[30.50; 34.00]	kJ/mol	[333.50; 360.70]
ΔvapH	34.00	kJ/mol	333.50	NIST
ΔvapH	30.50	kJ/mol	360.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[13.89; 103.54]	kPa	[306.15; 361.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.97222e+01
Coefficient B			-7.49443e+03
Coefficient C			-1.28665e+01
Coefficient D			1.10706e-05
Temperature range, min.			306.15
Temperature range, max.			361.15
Pvap	13.89	kPa	306.15	Calculated Property
Pvap	18.14	kPa	312.26	Calculated Property
Pvap	23.38	kPa	318.37	Calculated Property
Pvap	29.79	kPa	324.48	Calculated Property
Pvap	37.54	kPa	330.59	Calculated Property
Pvap	46.82	kPa	336.71	Calculated Property
Pvap	57.84	kPa	342.82	Calculated Property
Pvap	70.81	kPa	348.93	Calculated Property
Pvap	85.96	kPa	355.04	Calculated Property
Pvap	103.54	kPa	361.15	Calculated Property

Similar Compounds

Find more compounds similar to Propane, 2-methyl-2-(1-methylethoxy)-.

Mixtures

• Propane, 2-methyl-2-(1-methylethoxy)- + Water
• Propane, 2-methyl-2-(1-methylethoxy)- + Methyl Alcohol + Water
• Propane, 2-methyl-2-(1-methylethoxy)- + Ethanol + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Liquid liquid equilibria for binary systems of tert-amyl ethyl ether (TAEE), isopropyl tert-butyl ether (IPTBE) and di-sec-butyl ether (DSBE) with water and for ternary systems with methanol or ethanol
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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