Chemical Properties of (E)-6-Methylhept-4-en-1-ol (CAS 855901-81-4)

InChI

InChI=1S/C8H16O/c1-8(2)6-4-3-5-7-9/h4,6,8-9H,3,5,7H2,1-2H3/b6-4+

InChI Key

FRDGUFZXMNVORS-GQCTYLIASA-N

Formula

C8H16O

SMILES

CC(C)C=CCCCO

Molecular Weight¹

128.21

CAS

855901-81-4

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.24	kJ/mol	Joback Calculated Property
ΔvapH°	65.99	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.971		Crippen Calculated Property
McVol	125.150	ml/mol	McGowan Calculated Property
Inp	[1020.10; 1020.10]
Inp	1020.10		NIST
Inp	1020.10		NIST
Tboil	456.40	K	Relay (1.0) Calculated Property
Tfus	210.90	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[173.38; 420.68]	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			-1.49570e+01
Coefficient B			8.23740e-01
Coefficient C			-5.28800e-04
Coefficient D			1.40700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.38	J/mol×K	273.00	Calculated Property
Cp,gas	216.51	J/mol×K	353.78	Calculated Property
Cp,gas	254.69	J/mol×K	434.56	Calculated Property
Cp,gas	288.37	J/mol×K	515.33	Calculated Property
Cp,gas	317.98	J/mol×K	596.11	Calculated Property
Cp,gas	343.97	J/mol×K	676.89	Calculated Property
Cp,gas	366.80	J/mol×K	757.67	Calculated Property
Cp,gas	386.89	J/mol×K	838.44	Calculated Property
Cp,gas	404.71	J/mol×K	919.22	Calculated Property
Cp,gas	420.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1274533; 0.0001884]	Pa×s	[220.66; 454.10]	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			-1.47373e+01
Coefficient B			2.79737e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			220.66
Temperature range, max.			454.10
η	0.1274533	Pa×s	220.66	Calculated Property
η	0.0335933	Pa×s	246.60	Calculated Property
η	0.0114125	Pa×s	272.54	Calculated Property
η	0.0046774	Pa×s	298.47	Calculated Property
η	0.0022109	Pa×s	324.41	Calculated Property
η	0.0011677	Pa×s	350.35	Calculated Property
η	0.0006734	Pa×s	376.29	Calculated Property
η	0.0004170	Pa×s	402.22	Calculated Property
η	0.0002736	Pa×s	428.16	Calculated Property
η	0.0001884	Pa×s	454.10	Calculated Property

Similar Compounds

Find more compounds similar to (E)-6-Methylhept-4-en-1-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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