Chemical Properties of 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)- (CAS 498-16-8)

InChI

InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3/t10-/m1/s1

InChI Key

CZVXBFUKBZRMKR-SNVBAGLBSA-N

Formula

C10H18O

SMILES

C=C(C)C(CO)CC=C(C)C

Molecular Weight¹

154.25

CAS

498-16-8

Other Names

• 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)-
• (R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol
• (-)-Lavandulol
• Lavandulol
• (R)-Lavandulol
• 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (2R)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	45.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-184.17	kJ/mol	Joback Calculated Property
ΔfusH°	18.52	kJ/mol	Joback Calculated Property
ΔvapH°	53.59	kJ/mol	Joback Calculated Property
log10WS	-2.74		Crippen Calculated Property
logPoct/wat	2.527		Crippen Calculated Property
McVol	149.030	ml/mol	McGowan Calculated Property
Pc	2566.29	kPa	Joback Calculated Property
Inp	[1125.00; 1186.00]
Inp	1159.00		NIST
Inp	1161.00		NIST
Inp	1163.00		NIST
Inp	1165.00		NIST
Inp	1159.00		NIST
Inp	1161.00		NIST
Inp	1163.00		NIST
Inp	1165.00		NIST
Inp	Outlier 1135.00		NIST
Inp	1162.00		NIST
Inp	1150.00		NIST
Inp	1156.00		NIST
Inp	Outlier 1185.00		NIST
Inp	1155.00		NIST
Inp	1140.00		NIST
Inp	1156.60		NIST
Inp	1157.00		NIST
Inp	1167.00		NIST
Inp	1170.00		NIST
Inp	1148.00		NIST
Inp	1171.00		NIST
Inp	1169.00		NIST
Inp	1148.00		NIST
Inp	1149.00		NIST
Inp	1170.00		NIST
Inp	1150.00		NIST
Inp	1166.00		NIST
Inp	1175.00		NIST
Inp	1165.00		NIST
Inp	1170.00		NIST
Inp	1169.00		NIST
Inp	1153.00		NIST
Inp	1153.00		NIST
Inp	1167.00		NIST
Inp	1170.00		NIST
Inp	1175.00		NIST
Inp	1168.00		NIST
Inp	1149.00		NIST
Inp	1150.00		NIST
Inp	1145.00		NIST
Inp	1164.00		NIST
Inp	1153.00		NIST
Inp	1153.00		NIST
Inp	1150.00		NIST
Inp	1149.00		NIST
Inp	1150.00		NIST
Inp	1165.00		NIST
Inp	1165.00		NIST
Inp	1153.00		NIST
Inp	Outlier 1125.00		NIST
Inp	1170.00		NIST
Inp	1146.00		NIST
Inp	1155.00		NIST
Inp	1153.00		NIST
Inp	1157.00		NIST
Inp	1175.00		NIST
Inp	Outlier 1186.00		NIST
Inp	1162.00		NIST
Inp	1172.00		NIST
Inp	1153.00		NIST
Inp	1166.00		NIST
Inp	1150.00		NIST
Inp	1152.00		NIST
Inp	1150.00		NIST
Inp	1153.00		NIST
Inp	1162.00		NIST
Inp	1140.00		NIST
Inp	1175.00		NIST
Inp	1166.00		NIST
Inp	1170.00		NIST
Inp	1145.00		NIST
Inp	1149.00		NIST
Inp	Outlier 1125.00		NIST
Inp	1157.00		NIST
I	[1634.00; 1726.00]
I	1707.00		NIST
I	Outlier 1726.00		NIST
I	1698.00		NIST
I	Outlier 1634.00		NIST
I	1662.00		NIST
I	1682.00		NIST
I	1671.00		NIST
I	1673.00		NIST
I	1672.00		NIST
I	1675.00		NIST
I	1662.00		NIST
I	1682.00		NIST
I	1663.00		NIST
I	1677.00		NIST
I	1638.00		NIST
I	1712.00		NIST
I	1670.00		NIST
I	1675.00		NIST
I	1677.00		NIST
I	1686.00		NIST
I	1682.00		NIST
I	1675.00		NIST
I	1660.00		NIST
I	1687.00		NIST
I	1686.00		NIST
I	1686.00		NIST
I	1677.00		NIST
I	1686.00		NIST
I	1686.00		NIST
I	1662.00		NIST
I	Outlier 1726.00		NIST
I	1638.00		NIST
I	1686.00		NIST
Tboil	520.54	K	Joback Calculated Property
Tc	696.89	K	Joback Calculated Property
Tfus	213.52	K	Joback Calculated Property
Vc	0.572	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[343.99; 413.03]	J/mol×K	[520.54; 696.89]
T(K) Ideal gas heat capacity (J/mol×K) 340 350 360 370 380 390 400 410 550 600 650 700
Cp,gas	343.99	J/mol×K	520.54	Joback Calculated Property
Cp,gas	356.95	J/mol×K	549.93	Joback Calculated Property
Cp,gas	369.29	J/mol×K	579.32	Joback Calculated Property
Cp,gas	381.04	J/mol×K	608.71	Joback Calculated Property
Cp,gas	392.23	J/mol×K	638.10	Joback Calculated Property
Cp,gas	402.88	J/mol×K	667.49	Joback Calculated Property
Cp,gas	413.03	J/mol×K	696.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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