Chemical Properties of Cycloionone

InChI

InChI=1S/C13H20O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h6-7H,5,8-9H2,1-4H3

InChI Key

KYOSLSFHZKIUEM-UHFFFAOYSA-N

Formula

C13H20O

SMILES

CC1=CC=C2C(C)(C)CCCC2(C)O1

Molecular Weight¹

192.30

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3070		Relay (1.0) Calculated Property
ΔfG°	75.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-235.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.34	kJ/mol	Joback Calculated Property
ΔvapH°	59.09	kJ/mol	Relay (1.0) Calculated Property
IE	7.68	eV	Relay (1.0) Calculated Property
log10WS	-3.56		Relay (1.0) Calculated Property
logPoct/wat	3.816		Crippen Calculated Property
McVol	169.580	ml/mol	McGowan Calculated Property
Pc	2543.05	kPa	Joback Calculated Property
I	[1628.00; 1628.00]
I	1628.00		NIST
I	1628.00		NIST
Tboil	497.13	K	Relay (1.0) Calculated Property
Tc	724.28	K	Relay (1.0) Calculated Property
Tfus	297.95	K	Relay (1.0) Calculated Property
Vc	0.599	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[431.46; 534.55]	J/mol×K	[563.11; 797.62]
Cp,gas	431.46	J/mol×K	563.11	Joback Calculated Property
Cp,gas	451.09	J/mol×K	602.20	Joback Calculated Property
Cp,gas	469.38	J/mol×K	641.28	Joback Calculated Property
Cp,gas	486.60	J/mol×K	680.37	Joback Calculated Property
Cp,gas	503.01	J/mol×K	719.45	Joback Calculated Property
Cp,gas	518.91	J/mol×K	758.54	Joback Calculated Property
Cp,gas	534.55	J/mol×K	797.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cycloionone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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