Chemical Properties of 3-hydroxy-7,8-dihydro-«beta»-ionone

InChI

InChI=1S/C13H24O2/c1-9-5-8-12(15)13(3,4)11(9)7-6-10(2)14/h10,12,14-15H,5-8H2,1-4H3

InChI Key

PCHNRWMSYBNCRR-UHFFFAOYSA-N

Formula

C13H24O2

SMILES

CC1=C(CCC(C)O)C(C)(C)C(O)CC1

Molecular Weight¹

212.33

• 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°	-195.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-537.33	kJ/mol	Joback Calculated Property
ΔfusH°	21.13	kJ/mol	Joback Calculated Property
ΔvapH°	78.09	kJ/mol	Joback Calculated Property
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	2.645		Crippen Calculated Property
McVol	190.610	ml/mol	McGowan Calculated Property
Pc	2377.22	kPa	Joback Calculated Property
I	[2550.00; 2589.00]
I	2571.00		NIST
I	2567.00		NIST
I	2567.00		NIST
I	2550.00		NIST
I	Outlier 2589.00		NIST
I	2553.00		NIST
I	2566.00		NIST
I	2571.00		NIST
I	2553.00		NIST
Tboil	705.00	K	Joback Calculated Property
Tc	890.58	K	Joback Calculated Property
Tfus	395.75	K	Joback Calculated Property
Vc	0.712	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[564.96; 645.99]	J/mol×K	[705.00; 890.58]
Cp,gas	564.96	J/mol×K	705.00	Joback Calculated Property
Cp,gas	579.59	J/mol×K	735.93	Joback Calculated Property
Cp,gas	593.67	J/mol×K	766.86	Joback Calculated Property
Cp,gas	607.28	J/mol×K	797.79	Joback Calculated Property
Cp,gas	620.49	J/mol×K	828.72	Joback Calculated Property
Cp,gas	633.37	J/mol×K	859.65	Joback Calculated Property
Cp,gas	645.99	J/mol×K	890.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-hydroxy-7,8-dihydro-«beta»-ionone.

Sources

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

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