Chemical Properties of .ALPHA.-LINALOOL

InChI

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

InChI Key

GYJHTGZQPKPEOT-UHFFFAOYSA-N

Formula

C10H18O

SMILES

C=CC(C)(O)CCCC(=C)C

Molecular Weight¹

154.25

Other Names

• «alpha»-Linalool
• 3,7-dimethyl-1,7-octadien-3-ol

• 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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.46	kJ/mol	Joback Calculated Property
ΔvapH°	62.22	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-1.81		Relay (1.0) Calculated Property
logPoct/wat	2.670		Crippen Calculated Property
McVol	149.030	ml/mol	McGowan Calculated Property
Inp	[1098.00; 1103.00]
Inp	1098.00		NIST
Inp	1103.00		NIST
Inp	1099.00		NIST
Inp	1098.00		NIST
I	[1562.00; 1564.00]
I	1564.00		NIST
I	1564.00		NIST
I	1562.00		NIST
I	1562.00		NIST
Tboil	462.02	K	Relay (1.0) Calculated Property
Tc	649.49	K	Relay (1.0) Calculated Property
Tfus	261.98	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[346.21; 415.75]	J/mol×K	[510.39; 685.90]
Cp,gas	346.21	J/mol×K	510.39	Joback Calculated Property
Cp,gas	359.42	J/mol×K	539.64	Joback Calculated Property
Cp,gas	371.94	J/mol×K	568.89	Joback Calculated Property
Cp,gas	383.79	J/mol×K	598.14	Joback Calculated Property
Cp,gas	395.03	J/mol×K	627.39	Joback Calculated Property
Cp,gas	405.67	J/mol×K	656.64	Joback Calculated Property
Cp,gas	415.75	J/mol×K	685.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to .ALPHA.-LINALOOL.

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.