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_fusH° : Enthalpy of fusion at standard conditions (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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	9.53	kJ/mol	Joback Calculated Property
ΔvapH°	55.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	0.07		Relay (1.0) 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	416.19	K	Relay (1.0) Calculated Property
Tc	573.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[160.04; 367.12]	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			2.48610e+01
Coefficient B			5.56460e-01
Coefficient C			-2.28400e-04
Coefficient D			1.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.04	J/mol×K	273.00	Calculated Property
Cp,gas	193.77	J/mol×K	353.78	Calculated Property
Cp,gas	224.71	J/mol×K	434.56	Calculated Property
Cp,gas	252.91	J/mol×K	515.33	Calculated Property
Cp,gas	278.42	J/mol×K	596.11	Calculated Property
Cp,gas	301.28	J/mol×K	676.89	Calculated Property
Cp,gas	321.53	J/mol×K	757.67	Calculated Property
Cp,gas	339.23	J/mol×K	838.44	Calculated Property
Cp,gas	354.41	J/mol×K	919.22	Calculated Property
Cp,gas	367.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.2052897; 0.0002233]	Pa×s	[210.43; 433.13]	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			-1.48548e+01
Coefficient B			2.79272e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			210.43
Temperature range, max.			433.13
η	0.2052897	Pa×s	210.43	Calculated Property
η	0.0508079	Pa×s	235.17	Calculated Property
η	0.0164044	Pa×s	259.92	Calculated Property
η	0.0064468	Pa×s	284.66	Calculated Property
η	0.0029417	Pa×s	309.41	Calculated Property
η	0.0015077	Pa×s	334.15	Calculated Property
η	0.0008474	Pa×s	358.89	Calculated Property
η	0.0005130	Pa×s	383.64	Calculated Property
η	0.0003300	Pa×s	408.38	Calculated Property
η	0.0002233	Pa×s	433.13	Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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