Chemical Properties of Hexane, 3-methoxy-3-methyl-

InChI

InChI=1S/C8H18O/c1-5-7-8(3,6-2)9-4/h5-7H2,1-4H3

InChI Key

PCSFHUVPGSODTP-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCC(C)(CC)OC

Molecular Weight¹

130.23

• 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).
• 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

Cheméo can also estimate Ionization energy for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.14; 452.02]	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			-3.35700e+00
Coefficient B			8.26480e-01
Coefficient C			-4.72200e-04
Coefficient D			1.01100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.14	J/mol×K	273.00	Calculated Property
Cp,gas	234.41	J/mol×K	353.78	Calculated Property
Cp,gas	274.92	J/mol×K	434.56	Calculated Property
Cp,gas	310.99	J/mol×K	515.33	Calculated Property
Cp,gas	342.94	J/mol×K	596.11	Calculated Property
Cp,gas	371.08	J/mol×K	676.89	Calculated Property
Cp,gas	395.74	J/mol×K	757.67	Calculated Property
Cp,gas	417.24	J/mol×K	838.44	Calculated Property
Cp,gas	435.89	J/mol×K	919.22	Calculated Property
Cp,gas	452.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0073558; 0.0002365]	Pa×s	[204.57; 403.47]	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			-1.18847e+01
Coefficient B			1.42635e+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.			204.57
Temperature range, max.			403.47
η	0.0073558	Pa×s	204.57	Calculated Property
η	0.0037274	Pa×s	226.67	Calculated Property
η	0.0021312	Pa×s	248.77	Calculated Property
η	0.0013349	Pa×s	270.87	Calculated Property
η	0.0008973	Pa×s	292.97	Calculated Property
η	0.0006377	Pa×s	315.07	Calculated Property
η	0.0004740	Pa×s	337.17	Calculated Property
η	0.0003654	Pa×s	359.27	Calculated Property
η	0.0002903	Pa×s	381.37	Calculated Property
η	0.0002365	Pa×s	403.47	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 3-methoxy-3-methyl-.

Sources

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

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