Chemical Properties of 2-Propanol, 1-(1,1-dimethylethoxy)- (CAS 57018-52-7)

InChI

InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3

InChI Key

GQCZPFJGIXHZMB-UHFFFAOYSA-N

Formula

C7H16O2

SMILES

CC(O)COC(C)(C)C

Molecular Weight¹

132.20

CAS

57018-52-7

Other Names

• 1-(1,1-dimethylethoxy)-2-propanol
• 1-tert-butoxy-2-propanol
• monopeopyleenglycol
• propylene glycol mono-tert-butyl ether

• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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.
• 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
ΔfG°	-233.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-486.29	kJ/mol	Joback Calculated Property
ΔfusH°	8.22	kJ/mol	Joback Calculated Property
ΔvapH°	48.58	kJ/mol	Joback Calculated Property
log10WS	-1.33		Crippen Calculated Property
logPoct/wat	1.182		Crippen Calculated Property
McVol	121.230	ml/mol	McGowan Calculated Property
Pc	2720.00	kPa	Critica...
Inp	[861.60; 862.00]
Inp	861.60		NIST
Inp	862.00		NIST
Tboil	470.49	K	Joback Calculated Property
Tc	643.77	K	Joback Calculated Property
Tfus	239.12	K	Joback Calculated Property
Vc	0.448	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.42; 336.95]	J/mol×K	[470.49; 643.77]
Cp,gas	274.42	J/mol×K	470.49	Joback Calculated Property
Cp,gas	286.06	J/mol×K	499.37	Joback Calculated Property
Cp,gas	297.20	J/mol×K	528.25	Joback Calculated Property
Cp,gas	307.84	J/mol×K	557.13	Joback Calculated Property
Cp,gas	318.00	J/mol×K	586.01	Joback Calculated Property
Cp,gas	327.70	J/mol×K	614.89	Joback Calculated Property
Cp,gas	336.95	J/mol×K	643.77	Joback Calculated Property
η	[0.0001546; 0.0888370]	Pa×s	[239.12; 470.49]
η	0.0888370	Pa×s	239.12	Joback Calculated Property
η	0.0147686	Pa×s	277.68	Joback Calculated Property
η	0.0038030	Pa×s	316.24	Joback Calculated Property
η	0.0013152	Pa×s	354.81	Joback Calculated Property
η	0.0005601	Pa×s	393.37	Joback Calculated Property
η	0.0002778	Pa×s	431.93	Joback Calculated Property
η	0.0001546	Pa×s	470.49	Joback Calculated Property
ΔvapH	45.40	kJ/mol	383.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[319.82; 486.99]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.32063e+01
Coefficient B			-3.39378e+03
Coefficient C			-5.71180e+01
Temperature range, min.			319.82
Temperature range, max.			486.99
Pvap	1.33	kPa	319.82	Calculated Property
Pvap	3.13	kPa	338.39	Calculated Property
Pvap	6.61	kPa	356.97	Calculated Property
Pvap	12.79	kPa	375.54	Calculated Property
Pvap	23.01	kPa	394.12	Calculated Property
Pvap	38.93	kPa	412.69	Calculated Property
Pvap	62.53	kPa	431.27	Calculated Property
Pvap	96.03	kPa	449.84	Calculated Property
Pvap	141.87	kPa	468.42	Calculated Property
Pvap	202.65	kPa	486.99	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanol, 1-(1,1-dimethylethoxy)-.

Sources

• Crippen Method
• Crippen Method
• Critical Point and Vapor Pressure Measurements for Seven Compounds by a Low Residence Time Flow Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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