Chemical Properties of 1,7-Octadien-3-ol, 3,7-dimethyl- (CAS 598-07-2)

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

CAS

598-07-2

Other Names

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

• 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°	66.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-169.64	kJ/mol	Joback Calculated Property
ΔfusH°	14.46	kJ/mol	Joback Calculated Property
ΔvapH°	51.98	kJ/mol	Joback Calculated Property
log10WS	-3.09		Crippen Calculated Property
logPoct/wat	2.670		Crippen Calculated Property
McVol	149.030	ml/mol	McGowan Calculated Property
Pc	2555.92	kPa	Joback 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	1562.00		NIST
I	1564.00		NIST
I	1562.00		NIST
Tboil	510.39	K	Joback Calculated Property
Tc	685.90	K	Joback Calculated Property
Tfus	248.22	K	Joback Calculated Property
Vc	0.567	m3/kmol	Joback Calculated Property

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 1,7-Octadien-3-ol, 3,7-dimethyl-.

Sources

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

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