Chemical Properties of 2-Propanol, 1-(1-methylethoxy)- (CAS 3944-36-3)

InChI

InChI=1S/C6H14O2/c1-5(2)8-4-6(3)7/h5-7H,4H2,1-3H3

InChI Key

AFHJYKBGDDJSRR-UHFFFAOYSA-N

Formula

C6H14O2

SMILES

CC(O)COC(C)C

Molecular Weight¹

118.17

CAS

3944-36-3

Other Names

• 2-Propanol, 1-isopropoxy-
• 1-Isopropoxy-2-propanol
• 1-isopropoxypropan-2-ol

• 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).
• 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
ΔfG°	-247.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-462.18	kJ/mol	Joback Calculated Property
ΔfusH°	9.53	kJ/mol	Joback Calculated Property
ΔvapH°	47.26	kJ/mol	Joback Calculated Property
log10WS	-0.91		Crippen Calculated Property
logPoct/wat	0.792		Crippen Calculated Property
McVol	107.140	ml/mol	McGowan Calculated Property
Pc	3448.03	kPa	Joback Calculated Property
Inp	[814.00; 814.00]
Inp	814.00		NIST
Inp	814.00		NIST
Tboil	450.40	K	Joback Calculated Property
Tc	618.48	K	Joback Calculated Property
Tfus	210.43	K	Joback Calculated Property
Vc	0.397	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.45; 285.01]	J/mol×K	[450.40; 618.48]
Cp,gas	230.45	J/mol×K	450.40	Joback Calculated Property
Cp,gas	240.36	J/mol×K	478.41	Joback Calculated Property
Cp,gas	249.93	J/mol×K	506.43	Joback Calculated Property
Cp,gas	259.19	J/mol×K	534.44	Joback Calculated Property
Cp,gas	268.11	J/mol×K	562.45	Joback Calculated Property
Cp,gas	276.72	J/mol×K	590.46	Joback Calculated Property
Cp,gas	285.01	J/mol×K	618.48	Joback Calculated Property
η	[0.0001744; 0.2052897]	Pa×s	[210.43; 450.40]
η	0.2052897	Pa×s	210.43	Joback Calculated Property
η	0.0246519	Pa×s	250.43	Joback Calculated Property
η	0.0053072	Pa×s	290.42	Joback Calculated Property
η	0.0016571	Pa×s	330.41	Joback Calculated Property
η	0.0006653	Pa×s	370.41	Joback Calculated Property
η	0.0003191	Pa×s	410.40	Joback Calculated Property
η	0.0001744	Pa×s	450.40	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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