Chemical Properties of 4-Hydroxy-7,8-dihydro-«beta»-ionone

InChI

InChI=1S/C13H22O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h11,15H,5-8H2,1-4H3

InChI Key

KFZDTDKRRFEMEK-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

CC(=O)CCC1=C(C)CC(O)CC1(C)C

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_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°	-185.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-492.40	kJ/mol	Joback Calculated Property
ΔfusH°	22.16	kJ/mol	Joback Calculated Property
ΔvapH°	68.54	kJ/mol	Joback Calculated Property
log10WS	-3.43		Crippen Calculated Property
logPoct/wat	2.853		Crippen Calculated Property
McVol	186.310	ml/mol	McGowan Calculated Property
Pc	2293.71	kPa	Joback Calculated Property
Inp	[1373.00; 1373.00]
Inp	1373.00		NIST
Inp	1373.00		NIST
I	[1698.00; 1698.00]
I	1698.00		NIST
I	1698.00		NIST
Tboil	667.13	K	Joback Calculated Property
Tc	863.93	K	Joback Calculated Property
Tfus	399.86	K	Joback Calculated Property
Vc	0.705	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[522.49; 607.43]	J/mol×K	[667.13; 863.93]
Cp,gas	522.49	J/mol×K	667.13	Joback Calculated Property
Cp,gas	538.07	J/mol×K	699.93	Joback Calculated Property
Cp,gas	552.96	J/mol×K	732.73	Joback Calculated Property
Cp,gas	567.27	J/mol×K	765.53	Joback Calculated Property
Cp,gas	581.06	J/mol×K	798.33	Joback Calculated Property
Cp,gas	594.42	J/mol×K	831.13	Joback Calculated Property
Cp,gas	607.43	J/mol×K	863.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Hydroxy-7,8-dihydro-«beta»-ionone.

Sources

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

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