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).
• P_vap : Vapor 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.

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	[0.14; 101.04]	kPa	[315.10; 447.50]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.06967e+01
Coefficient B			-7.30657e+03
Coefficient C			6.85600e+00
Reference			Stull, 1947
Temperature range, min.			315.10
Temperature range, max.			447.50
Pvap	0.14	kPa	315.10	Calculated Property
Pvap	0.37	kPa	329.81	Calculated Property
Pvap	0.91	kPa	344.52	Calculated Property
Pvap	2.09	kPa	359.23	Calculated Property
Pvap	4.52	kPa	373.94	Calculated Property
Pvap	9.23	kPa	388.66	Calculated Property
Pvap	17.91	kPa	403.37	Calculated Property
Pvap	33.18	kPa	418.08	Calculated Property
Pvap	58.99	kPa	432.79	Calculated Property
Pvap	101.04	kPa	447.50	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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