Chemical Properties of 6-Hepten-3-ol, 4-methyl- (CAS 53907-71-4)

InChI

InChI=1S/C8H16O/c1-4-6-7(3)8(9)5-2/h4,7-9H,1,5-6H2,2-3H3

InChI Key

QMMJAABEFZXPBD-UHFFFAOYSA-N

Formula

C8H16O

SMILES

C=CCC(C)C(O)CC

Molecular Weight¹

128.21

CAS

53907-71-4

Other Names

• 4-Methyl-6-hepten-3-ol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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

Property	Value	Unit	Source
ω	0.5314		Relay (1.0) Calculated Property
ΔfH°gas	-272.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.24	kJ/mol	Joback Calculated Property
ΔvapH°	61.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-1.28		Relay (1.0) Calculated Property
logPoct/wat	1.969		Crippen Calculated Property
McVol	125.150	ml/mol	McGowan Calculated Property
Pc	2966.57	kPa	Joback Calculated Property
Inp	[986.00; 986.00]
Inp	986.00		NIST
Inp	986.00		NIST
Tboil	435.64	K	Relay (1.0) Calculated Property
Tc	614.96	K	Relay (1.0) Calculated Property
Tfus	214.01	K	Relay (1.0) Calculated Property
Vc	0.432	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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	[177.26; 423.29]	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			-5.44800e+00
Coefficient B			7.89640e-01
Coefficient C			-4.71100e-04
Coefficient D			1.10200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	177.26	J/mol×K	273.00	Calculated Property
Cp,gas	219.83	J/mol×K	353.78	Calculated Property
Cp,gas	257.78	J/mol×K	434.56	Calculated Property
Cp,gas	291.45	J/mol×K	515.33	Calculated Property
Cp,gas	321.20	J/mol×K	596.11	Calculated Property
Cp,gas	347.38	J/mol×K	676.89	Calculated Property
Cp,gas	370.33	J/mol×K	757.67	Calculated Property
Cp,gas	390.40	J/mol×K	838.44	Calculated Property
Cp,gas	407.94	J/mol×K	919.22	Calculated Property
Cp,gas	423.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.2781497; 0.0002222]	Pa×s	[208.98; 447.99]	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			-1.46483e+01
Coefficient B			2.79379e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			208.98
Temperature range, max.			447.99
η	0.2781497	Pa×s	208.98	Calculated Property
η	0.0616097	Pa×s	235.54	Calculated Property
η	0.0185218	Pa×s	262.09	Calculated Property
η	0.0069465	Pa×s	288.65	Calculated Property
η	0.0030734	Pa×s	315.21	Calculated Property
η	0.0015435	Pa×s	341.77	Calculated Property
η	0.0008561	Pa×s	368.32	Calculated Property
η	0.0005140	Pa×s	394.88	Calculated Property
η	0.0003291	Pa×s	421.44	Calculated Property
η	0.0002222	Pa×s	447.99	Calculated Property

Similar Compounds

Find more compounds similar to 6-Hepten-3-ol, 4-methyl-.

Sources

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

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