Chemical Properties of Pentane, 3-methoxy-

InChI

InChI=1S/C6H14O/c1-4-6(5-2)7-3/h6H,4-5H2,1-3H3

InChI Key

CQRFEDVNTJTKFU-UHFFFAOYSA-N

Formula

C6H14O

SMILES

CCC(CC)OC

Molecular Weight¹

102.18

Other Names

• 1-Ethylpropyl methyl ether

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[147.85; 347.91]	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			2.12520e+01
Coefficient B			5.16560e-01
Coefficient C			-1.94800e-04
Coefficient D			4.90000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	147.85	J/mol×K	273.00	Calculated Property
Cp,gas	179.84	J/mol×K	353.78	Calculated Property
Cp,gas	209.34	J/mol×K	434.56	Calculated Property
Cp,gas	236.39	J/mol×K	515.33	Calculated Property
Cp,gas	261.00	J/mol×K	596.11	Calculated Property
Cp,gas	283.17	J/mol×K	676.89	Calculated Property
Cp,gas	302.94	J/mol×K	757.67	Calculated Property
Cp,gas	320.30	J/mol×K	838.44	Calculated Property
Cp,gas	335.29	J/mol×K	919.22	Calculated Property
Cp,gas	347.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064749; 0.0001985]	Pa×s	[164.61; 369.14]	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			-1.13293e+01
Coefficient B			1.03531e+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.			164.61
Temperature range, max.			369.14
η	0.0064749	Pa×s	164.61	Calculated Property
η	0.0030191	Pa×s	187.34	Calculated Property
η	0.0016604	Pa×s	210.06	Calculated Property
η	0.0010262	Pa×s	232.79	Calculated Property
η	0.0006910	Pa×s	255.51	Calculated Property
η	0.0004963	Pa×s	278.24	Calculated Property
η	0.0003747	Pa×s	300.97	Calculated Property
η	0.0002943	Pa×s	323.69	Calculated Property
η	0.0002386	Pa×s	346.42	Calculated Property
η	0.0001985	Pa×s	369.14	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 3-methoxy-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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