Chemical Properties of 1,2-Dihydrolinalool (CAS 18479-51-1)

InChI

InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h7,11H,5-6,8H2,1-4H3

InChI Key

JRTBBCBDKSRRCY-UHFFFAOYSA-N

Formula

C10H20O

SMILES

CCC(C)(O)CCC=C(C)C

Molecular Weight¹

156.27

CAS

18479-51-1

Other Names

• 3,7-Dimethyl-6-octen-3-ol
• 3,7-Dimethyl-6-octene-3-ol
• 3,7-dimethyloct-6-en-3-ol
• 6-Octen-3-ol, 3,7-dimethyl-
• Dihydrolinalol
• Dihydrolinalool

• 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).
• 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
ΔfG°	-28.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-303.28	kJ/mol	Joback Calculated Property
ΔfusH°	17.22	kJ/mol	Joback Calculated Property
ΔvapH°	53.28	kJ/mol	Joback Calculated Property
log10WS	-3.24		Crippen Calculated Property
logPoct/wat	2.894		Crippen Calculated Property
McVol	153.330	ml/mol	McGowan Calculated Property
Pc	2475.19	kPa	Joback Calculated Property
Inp	[1104.00; 1135.80]
Inp	1125.00		NIST
Inp	Outlier 1104.00		NIST
Inp	1119.00		NIST
Inp	1135.80		NIST
Inp	1121.00		NIST
Inp	1121.00		NIST
Inp	1125.00		NIST
Inp	1121.00		NIST
I	[1487.00; 1537.00]
I	1537.00		NIST
I	1487.00		NIST
I	1537.00		NIST
I	1509.00		NIST
I	1512.00		NIST
I	1496.00		NIST
I	1512.00		NIST
I	1509.00		NIST
I	1512.00		NIST
I	1496.00		NIST
Tboil	521.19	K	Joback Calculated Property
Tc	697.61	K	Joback Calculated Property
Tfus	246.66	K	Joback Calculated Property
Vc	0.585	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[365.73; 439.11]	J/mol×K	[521.19; 697.61]
Cp,gas	365.73	J/mol×K	521.19	Joback Calculated Property
Cp,gas	379.63	J/mol×K	550.59	Joback Calculated Property
Cp,gas	392.81	J/mol×K	580.00	Joback Calculated Property
Cp,gas	405.32	J/mol×K	609.40	Joback Calculated Property
Cp,gas	417.18	J/mol×K	638.80	Joback Calculated Property
Cp,gas	428.43	J/mol×K	668.20	Joback Calculated Property
Cp,gas	439.11	J/mol×K	697.61	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[382.92; 552.58]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42883e+01
Coefficient B			-4.24423e+03
Coefficient C			-7.97750e+01
Temperature range, min.			382.92
Temperature range, max.			552.58
Pvap	1.33	kPa	382.92	Calculated Property
Pvap	3.03	kPa	401.77	Calculated Property
Pvap	6.27	kPa	420.62	Calculated Property
Pvap	12.05	kPa	439.47	Calculated Property
Pvap	21.68	kPa	458.32	Calculated Property
Pvap	36.90	kPa	477.18	Calculated Property
Pvap	59.86	kPa	496.03	Calculated Property
Pvap	93.10	kPa	514.88	Calculated Property
Pvap	139.60	kPa	533.73	Calculated Property
Pvap	202.66	kPa	552.58	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dihydrolinalool.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.