Chemical Properties of Hexane, 1,1'-[methylenebis(oxy)]bis- (CAS 54815-12-2)

InChI

InChI=1S/C13H28O2/c1-3-5-7-9-11-14-13-15-12-10-8-6-4-2/h3-13H2,1-2H3

InChI Key

SMBRWKSIANXXKZ-UHFFFAOYSA-N

Formula

C13H28O2

SMILES

CCCCCCOCOCCCCCC

Molecular Weight¹

216.36

CAS

54815-12-2

Other Names

• 1-[(Hexyloxy)methoxy]hexane

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[312.07; 727.01]	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			4.20710e+01
Coefficient B			1.11244e+00
Coefficient C			-4.61400e-04
Coefficient D			3.39000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	312.07	J/mol×K	273.00	Calculated Property
Cp,gas	379.38	J/mol×K	353.78	Calculated Property
Cp,gas	441.14	J/mol×K	434.56	Calculated Property
Cp,gas	497.45	J/mol×K	515.33	Calculated Property
Cp,gas	548.43	J/mol×K	596.11	Calculated Property
Cp,gas	594.18	J/mol×K	676.89	Calculated Property
Cp,gas	634.80	J/mol×K	757.67	Calculated Property
Cp,gas	670.41	J/mol×K	838.44	Calculated Property
Cp,gas	701.11	J/mol×K	919.22	Calculated Property
Cp,gas	727.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027724; 0.0001830]	Pa×s	[280.73; 491.65]	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			-1.22240e+01
Coefficient B			1.77870e+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.			280.73
Temperature range, max.			491.65
η	0.0027724	Pa×s	280.73	Calculated Property
η	0.0017015	Pa×s	304.17	Calculated Property
η	0.0011199	Pa×s	327.60	Calculated Property
η	0.0007794	Pa×s	351.04	Calculated Property
η	0.0005676	Pa×s	374.47	Calculated Property
η	0.0004291	Pa×s	397.91	Calculated Property
η	0.0003346	Pa×s	421.34	Calculated Property
η	0.0002679	Pa×s	444.78	Calculated Property
η	0.0002193	Pa×s	468.21	Calculated Property
η	0.0001830	Pa×s	491.65	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 1,1'-[methylenebis(oxy)]bis-.

Sources

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

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