Chemical Properties of 6-Methoxy 8,9-dehydro-thymyl tiglate

InChI

InChI=1S/C16H20O3/c1-7-11(4)16(17)19-15-8-12(5)14(18-6)9-13(15)10(2)3/h7-9H,2H2,1,3-6H3/b11-7+

InChI Key

GWSRVDBBPMIAMU-YRNVUSSQSA-N

Formula

C16H20O3

SMILES

C=C(C)c1cc(OC)c(C)cc1OC(=O)C(C)=CC

Molecular Weight¹

260.33

• 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	0.7036		Relay (1.0) Calculated Property
ΔfG°	-20.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-414.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.35	kJ/mol	Joback Calculated Property
ΔvapH°	82.54	kJ/mol	Relay (1.0) Calculated Property
IE	7.50	eV	Relay (1.0) Calculated Property
log10WS	-4.06		Relay (1.0) Calculated Property
logPoct/wat	3.908		Crippen Calculated Property
McVol	217.250	ml/mol	McGowan Calculated Property
Pc	1834.11	kPa	Joback Calculated Property
Inp	[1867.20; 1867.20]
Inp	1867.20		NIST
Inp	1867.20		NIST
Tboil	585.18	K	Relay (1.0) Calculated Property
Tc	807.41	K	Relay (1.0) Calculated Property
Tfus	331.45	K	Relay (1.0) Calculated Property
Vc	0.777	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[579.61; 660.64]	J/mol×K	[706.41; 918.90]
Cp,gas	579.61	J/mol×K	706.41	Joback Calculated Property
Cp,gas	595.36	J/mol×K	741.82	Joback Calculated Property
Cp,gas	610.19	J/mol×K	777.24	Joback Calculated Property
Cp,gas	624.11	J/mol×K	812.65	Joback Calculated Property
Cp,gas	637.14	J/mol×K	848.07	Joback Calculated Property
Cp,gas	649.31	J/mol×K	883.48	Joback Calculated Property
Cp,gas	660.64	J/mol×K	918.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Methoxy 8,9-dehydro-thymyl tiglate.

Sources

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

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