Chemical Properties of 5-Hepten-2-ol, 6-methyl- (CAS 1569-60-4)

InChI

InChI=1S/C8H16O/c1-7(2)5-4-6-8(3)9/h5,8-9H,4,6H2,1-3H3

InChI Key

OHEFFKYYKJVVOX-UHFFFAOYSA-N

Formula

C8H16O

SMILES

CC(C)=CCCC(C)O

Molecular Weight¹

128.21

CAS

1569-60-4

Other Names

• 6-Methyl-5-hepten-2-ol
• 6-methylhept-5-en-2-ol
• 2-Methyl-2-hepten-6-ol
• (.+/-.)-6-Methyl-5-hepten-2-ol
• Sulcatol
• NSC 66273
• Methylheptenol
• DL-6-Methyl-5-hepten-2-ol
• 6-Methylhept-5-en-2-ol (Sulcatol)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• I : 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
ΔfH°gas	-303.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.93	kJ/mol	Joback Calculated Property
ΔvapH°	64.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	-1.35		Relay (1.0) Calculated Property
logPoct/wat	2.114		Crippen Calculated Property
McVol	125.150	ml/mol	McGowan Calculated Property
Pc	2989.32	kPa	Joback Calculated Property
Inp	[963.00; 1002.90]
Inp	979.00		NIST
Inp	979.00		NIST
Inp	973.10		NIST
Inp	973.10		NIST
Inp	993.00		NIST
Inp	994.00		NIST
Inp	985.00		NIST
Inp	995.00		NIST
Inp	975.00		NIST
Inp	Outlier 963.00		NIST
Inp	1002.90		NIST
Inp	993.00		NIST
Inp	997.00		NIST
Inp	974.00		NIST
Inp	974.00		NIST
Inp	993.00		NIST
Inp	998.00		NIST
Inp	995.00		NIST
Inp	992.00		NIST
Inp	995.00		NIST
Inp	997.00		NIST
Inp	993.00		NIST
Inp	985.00		NIST
Inp	993.00		NIST
Inp	997.00		NIST
I	[1431.00; 1488.00]
I	1464.00		NIST
I	1468.00		NIST
I	1468.00		NIST
I	1466.00		NIST
I	1469.00		NIST
I	1451.00		NIST
I	1446.00		NIST
I	1465.00		NIST
I	1461.00		NIST
I	1454.00		NIST
I	1466.00		NIST
I	Outlier 1488.00		NIST
I	1466.00		NIST
I	1460.00		NIST
I	1462.00		NIST
I	1473.00		NIST
I	1468.00		NIST
I	1462.00		NIST
I	1452.00		NIST
I	1471.00		NIST
I	1471.00		NIST
I	1443.00		NIST
I	1443.00		NIST
I	Outlier 1431.00		NIST
I	1467.00		NIST
I	1450.00		NIST
I	1454.00		NIST
I	1473.00		NIST
I	1478.00		NIST
I	1461.00		NIST
I	1464.00		NIST
I	1451.00		NIST
I	1466.00		NIST
I	1473.00		NIST
I	1471.00		NIST
I	1450.00		NIST
Tboil	450.37	K	Relay (1.0) Calculated Property
Tc	616.86	K	Relay (1.0) Calculated Property
Tfus	223.19	K	Relay (1.0) Calculated Property
Vc	0.460	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[273.45; 335.97]	J/mol×K	[478.42; 651.56]
Cp,gas	273.45	J/mol×K	478.42	Joback Calculated Property
Cp,gas	285.11	J/mol×K	507.28	Joback Calculated Property
Cp,gas	296.25	J/mol×K	536.13	Joback Calculated Property
Cp,gas	306.88	J/mol×K	564.99	Joback Calculated Property
Cp,gas	317.03	J/mol×K	593.85	Joback Calculated Property
Cp,gas	326.72	J/mol×K	622.71	Joback Calculated Property
Cp,gas	335.97	J/mol×K	651.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Hepten-2-ol, 6-methyl-.

Sources

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

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