Chemical Properties of Pseudoisoeugenyl tiglate

InChI

InChI=1S/C15H18O3/c1-5-7-12-8-9-13(14(10-12)17-4)18-15(16)11(3)6-2/h5-10H,1-4H3/b7-5?,11-6+

InChI Key

ZTMOFQLUZSNPJG-UHYUDDSYSA-N

Formula

C15H18O3

SMILES

CC=Cc1ccc(OC(=O)C(C)=CC)c(OC)c1

Molecular Weight¹

246.30

• 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	0.6428		Relay (1.0) Calculated Property
ΔfG°	-18.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-366.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.94	kJ/mol	Joback Calculated Property
ΔvapH°	83.48	kJ/mol	Relay (1.0) Calculated Property
IE	7.60	eV	Relay (1.0) Calculated Property
log10WS	-4.00		Relay (1.0) Calculated Property
logPoct/wat	3.600		Crippen Calculated Property
McVol	203.160	ml/mol	McGowan Calculated Property
Pc	2030.89	kPa	Joback Calculated Property
Inp	[1817.00; 1818.00]
Inp	1817.00		NIST
Inp	1818.00		NIST
Tboil	585.61	K	Relay (1.0) Calculated Property
Tc	802.51	K	Relay (1.0) Calculated Property
Tfus	343.93	K	Relay (1.0) Calculated Property
Vc	0.709	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[528.20; 606.81]	J/mol×K	[686.15; 901.85]
Cp,gas	528.20	J/mol×K	686.15	Joback Calculated Property
Cp,gas	543.49	J/mol×K	722.10	Joback Calculated Property
Cp,gas	557.86	J/mol×K	758.05	Joback Calculated Property
Cp,gas	571.35	J/mol×K	794.00	Joback Calculated Property
Cp,gas	583.98	J/mol×K	829.95	Joback Calculated Property
Cp,gas	595.79	J/mol×K	865.90	Joback Calculated Property
Cp,gas	606.81	J/mol×K	901.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pseudoisoeugenyl tiglate.

Sources

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

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