Chemical Properties of eupatoriochromene

InChI

InChI=1S/C13H14O3/c1-8(14)10-6-9-4-5-13(2,3)16-12(9)7-11(10)15/h4-7,15H,1-3H3

InChI Key

SVUVYHFYZBCYRF-UHFFFAOYSA-N

Formula

C13H14O3

SMILES

CC(=O)c1cc2c(cc1O)OC(C)(C)C=C2

Molecular Weight¹

218.25

• 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.
• 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	0.6407		Relay (1.0) Calculated Property
ΔfG°	-144.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-434.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.01	kJ/mol	Joback Calculated Property
ΔvapH°	81.36	kJ/mol	Relay (1.0) Calculated Property
IE	7.71	eV	Relay (1.0) Calculated Property
log10WS	-3.31		Relay (1.0) Calculated Property
logPoct/wat	2.779		Crippen Calculated Property
McVol	168.420	ml/mol	McGowan Calculated Property
Pc	3356.75	kPa	Joback Calculated Property
Inp	[1759.00; 1759.00]
Inp	1759.00		NIST
Inp	1759.00		NIST
Tboil	568.47	K	Relay (1.0) Calculated Property
Tc	840.15	K	Relay (1.0) Calculated Property
Tfus	406.51	K	Relay (1.0) Calculated Property
Vc	0.620	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[458.88; 536.78]	J/mol×K	[705.33; 951.07]
Cp,gas	458.88	J/mol×K	705.33	Joback Calculated Property
Cp,gas	472.21	J/mol×K	746.29	Joback Calculated Property
Cp,gas	485.07	J/mol×K	787.24	Joback Calculated Property
Cp,gas	497.71	J/mol×K	828.20	Joback Calculated Property
Cp,gas	510.37	J/mol×K	869.15	Joback Calculated Property
Cp,gas	523.31	J/mol×K	910.11	Joback Calculated Property
Cp,gas	536.78	J/mol×K	951.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to eupatoriochromene.

Sources

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

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