Chemical Properties of 3-hydroxy-«alpha»-ionol

InChI

InChI=1S/C13H22O2/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h5-7,10-12,14-15H,8H2,1-4H3/b7-6+

InChI Key

STFXUMQLYXABNX-VOTSOKGWSA-N

Formula

C13H22O2

SMILES

CC1=CCC(O)C(C)(C)C1C=CC(C)O

Molecular Weight¹

210.31

• 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 : 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°	-113.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-428.98	kJ/mol	Joback Calculated Property
ΔfusH°	22.79	kJ/mol	Joback Calculated Property
ΔvapH°	77.07	kJ/mol	Joback Calculated Property
log10WS	-3.13		Crippen Calculated Property
logPoct/wat	2.277		Crippen Calculated Property
McVol	186.310	ml/mol	McGowan Calculated Property
Pc	2458.04	kPa	Joback Calculated Property
I	[2656.00; 2656.00]
I	2656.00		NIST
I	2656.00		NIST
Tboil	699.51	K	Joback Calculated Property
Tc	889.60	K	Joback Calculated Property
Tfus	373.91	K	Joback Calculated Property
Vc	0.691	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.23; 625.72]	J/mol×K	[699.51; 889.60]
Cp,gas	545.23	J/mol×K	699.51	Joback Calculated Property
Cp,gas	559.81	J/mol×K	731.19	Joback Calculated Property
Cp,gas	573.81	J/mol×K	762.87	Joback Calculated Property
Cp,gas	587.32	J/mol×K	794.55	Joback Calculated Property
Cp,gas	600.42	J/mol×K	826.24	Joback Calculated Property
Cp,gas	613.19	J/mol×K	857.92	Joback Calculated Property
Cp,gas	625.72	J/mol×K	889.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-hydroxy-«alpha»-ionol.

Sources

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

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