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_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.
• I_p : 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°	18.52	kJ/mol	Joback Calculated Property
ΔvapH°	70.66	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.527		Crippen Calculated Property
McVol	149.030	ml/mol	McGowan 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	1170.00		NIST
Inp	1145.00		NIST
Inp	1149.00		NIST
Inp	Outlier 1125.00		NIST
Inp	1157.00		NIST
Inp	1175.00		NIST
Inp	1166.00		NIST
Ip	[1634.00; 1726.00]
Ip	1707.00		NIST
Ip	Outlier 1726.00		NIST
Ip	1698.00		NIST
Ip	Outlier 1634.00		NIST
Ip	1662.00		NIST
Ip	1682.00		NIST
Ip	1671.00		NIST
Ip	1673.00		NIST
Ip	1672.00		NIST
Ip	1675.00		NIST
Ip	1662.00		NIST
Ip	1682.00		NIST
Ip	1663.00		NIST
Ip	1677.00		NIST
Ip	1638.00		NIST
Ip	1712.00		NIST
Ip	1670.00		NIST
Ip	1675.00		NIST
Ip	1677.00		NIST
Ip	1686.00		NIST
Ip	1682.00		NIST
Ip	1675.00		NIST
Ip	1660.00		NIST
Ip	1687.00		NIST
Ip	1686.00		NIST
Ip	1686.00		NIST
Ip	1677.00		NIST
Ip	1686.00		NIST
Ip	1686.00		NIST
Ip	1662.00		NIST
Ip	1638.00		NIST
Ip	1686.00		NIST
Ip	Outlier 1726.00		NIST
Tboil	500.69	K	Relay (1.0) Calculated Property
Tfus	230.97	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	[206.30; 494.81]	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			-1.91480e+01
Coefficient B			9.93560e-01
Coefficient C			-6.65100e-04
Coefficient D			1.85500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	206.30	J/mol×K	273.00	Calculated Property
Cp,gas	257.32	J/mol×K	353.78	Calculated Property
Cp,gas	302.23	J/mol×K	434.56	Calculated Property
Cp,gas	341.62	J/mol×K	515.33	Calculated Property
Cp,gas	376.08	J/mol×K	596.11	Calculated Property
Cp,gas	406.18	J/mol×K	676.89	Calculated Property
Cp,gas	432.52	J/mol×K	757.67	Calculated Property
Cp,gas	455.68	J/mol×K	838.44	Calculated Property
Cp,gas	476.25	J/mol×K	919.22	Calculated Property
Cp,gas	494.81	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

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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