Chemical Properties of 2-Methyl-6-hepten-3-ol (CAS 78631-45-5)

InChI

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

InChI Key

HZXRKEFLPMNBGL-UHFFFAOYSA-N

Formula

C8H16O

SMILES

C=CCCC(O)C(C)C

Molecular Weight¹

128.21

CAS

78631-45-5

• 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).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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	[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 2-Methyl-6-hepten-3-ol.

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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