Chemical Properties of 4-Hepten-3-ol, 4-methyl- (CAS 81280-12-8)

InChI

InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h6,8-9H,4-5H2,1-3H3/b7-6+

InChI Key

CVBRKUMLJLIZGY-VOTSOKGWSA-N

Formula

C8H16O

SMILES

CCC=C(C)C(O)CC

Molecular Weight¹

128.21

CAS

81280-12-8

Other Names

• 4-Methyl-4-hepten-3-ol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor 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 Log10 of Water solubility in mol/l 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	[173.53; 420.41]	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			-1.46480e+01
Coefficient B			8.23660e-01
Coefficient C			-5.31100e-04
Coefficient D			1.42500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.53	J/mol×K	273.00	Calculated Property
Cp,gas	216.58	J/mol×K	353.78	Calculated Property
Cp,gas	254.68	J/mol×K	434.56	Calculated Property
Cp,gas	288.27	J/mol×K	515.33	Calculated Property
Cp,gas	317.80	J/mol×K	596.11	Calculated Property
Cp,gas	343.73	J/mol×K	676.89	Calculated Property
Cp,gas	366.51	J/mol×K	757.67	Calculated Property
Cp,gas	386.58	J/mol×K	838.44	Calculated Property
Cp,gas	404.40	J/mol×K	919.22	Calculated Property
Cp,gas	420.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[345.72; 508.83]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39010e+01
Coefficient B			-3.79641e+03
Coefficient C			-6.68480e+01
Temperature range, min.			345.72
Temperature range, max.			508.83
Pvap	1.33	kPa	345.72	Calculated Property
Pvap	3.06	kPa	363.84	Calculated Property
Pvap	6.38	kPa	381.97	Calculated Property
Pvap	12.29	kPa	400.09	Calculated Property
Pvap	22.12	kPa	418.21	Calculated Property
Pvap	37.57	kPa	436.34	Calculated Property
Pvap	60.74	kPa	454.46	Calculated Property
Pvap	94.08	kPa	472.58	Calculated Property
Pvap	140.36	kPa	490.71	Calculated Property
Pvap	202.66	kPa	508.83	Calculated Property

Similar Compounds

Find more compounds similar to 4-Hepten-3-ol, 4-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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