Chemical Properties of 2-Propanol, 1,3-bis(3-methylbutoxy)-

InChI

InChI=1S/C13H28O3/c1-11(2)5-7-15-9-13(14)10-16-8-6-12(3)4/h11-14H,5-10H2,1-4H3

InChI Key

ARRCKRNGGJHASO-UHFFFAOYSA-N

Formula

C13H28O3

SMILES

CC(C)CCOCC(O)COCCC(C)C

Molecular Weight¹

232.22

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[323.63; 747.30]	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			4.23160e+01
Coefficient B			1.16418e+00
Coefficient C			-5.01400e-04
Coefficient D			4.22000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	323.63	J/mol×K	273.00	Calculated Property
Cp,gas	393.29	J/mol×K	353.78	Calculated Property
Cp,gas	457.00	J/mol×K	434.56	Calculated Property
Cp,gas	514.88	J/mol×K	515.33	Calculated Property
Cp,gas	567.06	J/mol×K	596.11	Calculated Property
Cp,gas	613.69	J/mol×K	676.89	Calculated Property
Cp,gas	654.90	J/mol×K	757.67	Calculated Property
Cp,gas	690.81	J/mol×K	838.44	Calculated Property
Cp,gas	721.57	J/mol×K	919.22	Calculated Property
Cp,gas	747.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0199911; 0.0000658]	Pa×s	[296.55; 558.86]	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			-1.60917e+01
Coefficient B			3.61175e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			296.55
Temperature range, max.			558.86
η	0.0199911	Pa×s	296.55	Calculated Property
η	0.0067220	Pa×s	325.70	Calculated Property
η	0.0027035	Pa×s	354.84	Calculated Property
η	0.0012485	Pa×s	383.99	Calculated Property
η	0.0006430	Pa×s	413.13	Calculated Property
η	0.0003614	Pa×s	442.28	Calculated Property
η	0.0002181	Pa×s	471.43	Calculated Property
η	0.0001396	Pa×s	500.57	Calculated Property
η	0.0000939	Pa×s	529.72	Calculated Property
η	0.0000658	Pa×s	558.86	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanol, 1,3-bis(3-methylbutoxy)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• McGowan Method
• NCMS SOLV-DB

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