Chemical Properties of 4-Methyl-3-heptanol, methyl ether

InChI

InChI=1S/C9H20O/c1-5-7-8(3)9(6-2)10-4/h8-9H,5-7H2,1-4H3

InChI Key

ZQNMHIOHDFWPBL-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CCCC(C)C(CC)OC

Molecular Weight¹

144.26

• 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).
• 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).
• 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, 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	[211.18; 503.22]	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			1.68430e+01
Coefficient B			8.07480e-01
Coefficient C			-3.61200e-04
Coefficient D			4.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.18	J/mol×K	273.00	Calculated Property
Cp,gas	259.08	J/mol×K	353.78	Calculated Property
Cp,gas	302.82	J/mol×K	434.56	Calculated Property
Cp,gas	342.53	J/mol×K	515.33	Calculated Property
Cp,gas	378.33	J/mol×K	596.11	Calculated Property
Cp,gas	410.36	J/mol×K	676.89	Calculated Property
Cp,gas	438.73	J/mol×K	757.67	Calculated Property
Cp,gas	463.59	J/mol×K	838.44	Calculated Property
Cp,gas	485.04	J/mol×K	919.22	Calculated Property
Cp,gas	503.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0132381; 0.0002086]	Pa×s	[183.42; 418.37]	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			-1.17154e+01
Coefficient B			1.35561e+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.			183.42
Temperature range, max.			418.37
η	0.0132381	Pa×s	183.42	Calculated Property
η	0.0052712	Pa×s	209.53	Calculated Property
η	0.0025740	Pa×s	235.63	Calculated Property
η	0.0014501	Pa×s	261.74	Calculated Property
η	0.0009066	Pa×s	287.84	Calculated Property
η	0.0006128	Pa×s	313.95	Calculated Property
η	0.0004399	Pa×s	340.06	Calculated Property
η	0.0003311	Pa×s	366.16	Calculated Property
η	0.0002588	Pa×s	392.27	Calculated Property
η	0.0002086	Pa×s	418.37	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methyl-3-heptanol, methyl ether.

Sources

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

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