Chemical Properties of Epoxypseudoisoeugenyl tiglate I

InChI

InChI=1S/C15H18O4/c1-5-9(2)15(16)19-12-7-6-11(8-13(12)17-4)14-10(3)18-14/h5-8,10,14H,1-4H3/b9-5+

InChI Key

NOOWSEWAIODGJY-WEVVVXLNSA-N

Formula

C15H18O4

SMILES

CC=C(C)C(=O)Oc1ccc(C2OC2C)cc1OC

Molecular Weight¹

262.30

• 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_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	0.6649		Relay (1.0) Calculated Property
ΔfG°	-131.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-529.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.92	kJ/mol	Joback Calculated Property
ΔvapH°	87.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.13	eV	Relay (1.0) Calculated Property
log10WS	-2.61		Relay (1.0) Calculated Property
logPoct/wat	3.027		Crippen Calculated Property
McVol	202.470	ml/mol	McGowan Calculated Property
Pc	2098.42	kPa	Joback Calculated Property
Inp	[1848.00; 1848.00]
Inp	1848.00		NIST
Inp	1848.00		NIST
Tboil	588.18	K	Relay (1.0) Calculated Property
Tc	817.14	K	Relay (1.0) Calculated Property
Tfus	353.49	K	Relay (1.0) Calculated Property
Vc	0.755	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[569.64; 650.37]	J/mol×K	[711.01; 929.75]
Cp,gas	569.64	J/mol×K	711.01	Joback Calculated Property
Cp,gas	585.49	J/mol×K	747.47	Joback Calculated Property
Cp,gas	600.34	J/mol×K	783.92	Joback Calculated Property
Cp,gas	614.20	J/mol×K	820.38	Joback Calculated Property
Cp,gas	627.14	J/mol×K	856.84	Joback Calculated Property
Cp,gas	639.18	J/mol×K	893.29	Joback Calculated Property
Cp,gas	650.37	J/mol×K	929.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Epoxypseudoisoeugenyl tiglate I.

Sources

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

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