Chemical Properties of 3-Hydroxy-7,8-dihydro-«beta»-ionol (CAS 172705-13-4)

InChI

InChI=1S/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h7,10-12,14-15H,8H2,1-4H3

InChI Key

GGHORLDEHPNAFJ-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

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

Molecular Weight¹

208.30

CAS

172705-13-4

• 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°	9.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-273.90	kJ/mol	Joback Calculated Property
ΔfusH°	25.71	kJ/mol	Joback Calculated Property
ΔvapH°	79.27	kJ/mol	Joback Calculated Property
log10WS	-3.07		Crippen Calculated Property
logPoct/wat	1.724		Crippen Calculated Property
McVol	182.010	ml/mol	McGowan Calculated Property
Pc	2744.03	kPa	Joback Calculated Property
Inp	[1700.00; 1700.00]
Inp	1700.00		NIST
Inp	1700.00		NIST
I	[2640.00; 2726.00]
I	2681.00		NIST
I	2681.00		NIST
I	2681.00		NIST
I	2676.00		NIST
I	2659.00		NIST
I	2661.00		NIST
I	2653.00		NIST
I	2640.00		NIST
I	2726.00		NIST
I	2698.00		NIST
I	2698.00		NIST
I	2700.00		NIST
I	2726.00		NIST
I	2698.00		NIST
I	2681.00		NIST
I	2661.00		NIST
Tboil	704.35	K	Joback Calculated Property
Tc	905.06	K	Joback Calculated Property
Tfus	485.09	K	Joback Calculated Property
Vc	0.672	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[523.02; 603.23]	J/mol×K	[704.35; 905.06]
Cp,gas	523.02	J/mol×K	704.35	Joback Calculated Property
Cp,gas	537.53	J/mol×K	737.80	Joback Calculated Property
Cp,gas	551.48	J/mol×K	771.25	Joback Calculated Property
Cp,gas	564.93	J/mol×K	804.71	Joback Calculated Property
Cp,gas	577.99	J/mol×K	838.16	Joback Calculated Property
Cp,gas	590.73	J/mol×K	871.61	Joback Calculated Property
Cp,gas	603.23	J/mol×K	905.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxy-7,8-dihydro-«beta»-ionol.

Sources

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

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