Chemical Properties of Cyclocolorenone (CAS 489-45-2)

InChI

InChI=1S/C15H22O/c1-8-5-6-11-14(15(11,3)4)13-9(2)12(16)7-10(8)13/h8,10-11,14H,5-7H2,1-4H3/t8-,10?,11-,14-/m0/s1

InChI Key

ZEEUIOBUKGZKPS-ZOAVQCKWSA-N

Formula

C15H22O

SMILES

CC1=C2C(CC1=O)C(C)CCC1C2C1(C)C

Molecular Weight¹

218.33

CAS

489-45-2

Other Names

• Cyclocorolonone

• 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_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
ω	0.3957		Relay (1.0) Calculated Property
ΔfG°	100.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-167.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.61	kJ/mol	Joback Calculated Property
ΔvapH°	73.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-4.20		Relay (1.0) Calculated Property
logPoct/wat	3.594		Crippen Calculated Property
McVol	186.900	ml/mol	McGowan Calculated Property
Pc	2069.88	kPa	Joback Calculated Property
Inp	[1735.00; 1788.00]
Inp	Outlier 1788.00		NIST
Inp	1748.00		NIST
Inp	1760.00		NIST
Inp	1758.00		NIST
Inp	1744.00		NIST
Inp	1740.00		NIST
Inp	1736.00		NIST
Inp	1735.00		NIST
Inp	1735.00		NIST
Inp	1748.00		NIST
Inp	1736.00		NIST
Inp	Outlier 1788.00		NIST
I	2254.00		NIST
Tboil	551.98	K	Relay (1.0) Calculated Property
Tc	815.31	K	Relay (1.0) Calculated Property
Tfus	361.87	K	Relay (1.0) Calculated Property
Vc	0.653	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.90; 661.06]	J/mol×K	[639.20; 869.72]
Cp,gas	545.90	J/mol×K	639.20	Joback Calculated Property
Cp,gas	567.48	J/mol×K	677.62	Joback Calculated Property
Cp,gas	587.88	J/mol×K	716.04	Joback Calculated Property
Cp,gas	607.27	J/mol×K	754.46	Joback Calculated Property
Cp,gas	625.82	J/mol×K	792.88	Joback Calculated Property
Cp,gas	643.70	J/mol×K	831.30	Joback Calculated Property
Cp,gas	661.06	J/mol×K	869.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclocolorenone.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.