Chemical Properties of Retenequinone (CAS 5398-75-4)

InChI

InChI=1S/C18H16O2/c1-10(2)12-7-8-13-14-6-4-5-11(3)16(14)18(20)17(19)15(13)9-12/h4-10H,1-3H3

InChI Key

WVOVXOXRXQFTAS-UHFFFAOYSA-N

Formula

C18H16O2

SMILES

Cc1cccc2c1C(=O)C(=O)c1cc(C(C)C)ccc1-2

Molecular Weight¹

264.32

CAS

5398-75-4

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• 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
ΔcH°solid	[-9011.10; -9005.60]	kJ/mol
ΔcH°solid	-9011.10	kJ/mol	NIST
ΔcH°solid	-9005.60	kJ/mol	NIST
ΔfG°	119.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-169.05	kJ/mol	Joback Calculated Property
ΔfusH°	23.56	kJ/mol	Joback Calculated Property
ΔvapH°	71.02	kJ/mol	Joback Calculated Property
log10WS	-6.11		Crippen Calculated Property
logPoct/wat	4.164		Crippen Calculated Property
McVol	209.240	ml/mol	McGowan Calculated Property
Pc	2208.29	kPa	Joback Calculated Property
Tboil	826.86	K	Joback Calculated Property
Tc	1083.72	K	Joback Calculated Property
Tfus	542.68	K	Joback Calculated Property
Vc	0.801	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[614.06; 688.06]	J/mol×K	[826.86; 1083.72]
Cp,gas	614.06	J/mol×K	826.86	Joback Calculated Property
Cp,gas	629.60	J/mol×K	869.67	Joback Calculated Property
Cp,gas	643.80	J/mol×K	912.48	Joback Calculated Property
Cp,gas	656.71	J/mol×K	955.29	Joback Calculated Property
Cp,gas	668.36	J/mol×K	998.10	Joback Calculated Property
Cp,gas	678.80	J/mol×K	1040.91	Joback Calculated Property
Cp,gas	688.06	J/mol×K	1083.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Retenequinone.

Sources

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

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