Chemical Properties of Fumaric acid, 2,6-dimethoxyphenyl hex-4-yn-3-yl ester

InChI

InChI=1S/C18H20O6/c1-5-8-13(6-2)23-16(19)11-12-17(20)24-18-14(21-3)9-7-10-15(18)22-4/h7,9-13H,6H2,1-4H3/b12-11+

InChI Key

QFGYTLQFUVWRST-VAWYXSNFSA-N

Formula

C18H20O6

SMILES

CC#CC(CC)OC(=O)C=CC(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

332.35

• 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).
• 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
ΔfG°	-203.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-571.06	kJ/mol	Joback Calculated Property
ΔfusH°	43.39	kJ/mol	Joback Calculated Property
ΔvapH°	84.12	kJ/mol	Joback Calculated Property
log10WS	-4.00		Crippen Calculated Property
logPoct/wat	2.510		Crippen Calculated Property
McVol	254.440	ml/mol	McGowan Calculated Property
Pc	1784.86	kPa	Joback Calculated Property
Inp	[2431.00; 2431.00]
Inp	2431.00		NIST
Inp	2431.00		NIST
Tboil	858.02	K	Joback Calculated Property
Tc	1080.34	K	Joback Calculated Property
Tfus	618.88	K	Joback Calculated Property
Vc	0.956	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[739.02; 801.56]	J/mol×K	[858.02; 1080.34]
Cp,gas	739.02	J/mol×K	858.02	Joback Calculated Property
Cp,gas	752.59	J/mol×K	895.07	Joback Calculated Property
Cp,gas	764.92	J/mol×K	932.13	Joback Calculated Property
Cp,gas	775.99	J/mol×K	969.18	Joback Calculated Property
Cp,gas	785.79	J/mol×K	1006.23	Joback Calculated Property
Cp,gas	794.32	J/mol×K	1043.28	Joback Calculated Property
Cp,gas	801.56	J/mol×K	1080.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl hex-4-yn-3-yl ester.

Sources

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

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