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

InChI

InChI=1S/C20H18O4/c1-3-7-17(4-2)23-19(21)12-13-20(22)24-18-11-10-15-8-5-6-9-16(15)14-18/h5-6,8-14,17H,4H2,1-2H3/b13-12+

InChI Key

WBIUAUCAJRWOEU-OUKQBFOZSA-N

Formula

C20H18O4

SMILES

CC#CC(CC)OC(=O)C=CC(=O)Oc1ccc2ccccc2c1

Molecular Weight¹

322.35

• 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°	139.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-145.36	kJ/mol	Joback Calculated Property
ΔfusH°	43.60	kJ/mol	Joback Calculated Property
ΔvapH°	84.73	kJ/mol	Joback Calculated Property
log10WS	-5.56		Crippen Calculated Property
logPoct/wat	3.647		Crippen Calculated Property
McVol	251.420	ml/mol	McGowan Calculated Property
Pc	1949.23	kPa	Joback Calculated Property
Inp	[2644.00; 2644.00]
Inp	2644.00		NIST
Inp	2644.00		NIST
Tboil	872.94	K	Joback Calculated Property
Tc	1112.51	K	Joback Calculated Property
Tfus	617.14	K	Joback Calculated Property
Vc	0.954	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[722.85; 790.30]	J/mol×K	[872.94; 1112.51]
Cp,gas	722.85	J/mol×K	872.94	Joback Calculated Property
Cp,gas	736.49	J/mol×K	912.87	Joback Calculated Property
Cp,gas	749.07	J/mol×K	952.80	Joback Calculated Property
Cp,gas	760.66	J/mol×K	992.73	Joback Calculated Property
Cp,gas	771.34	J/mol×K	1032.65	Joback Calculated Property
Cp,gas	781.19	J/mol×K	1072.58	Joback Calculated Property
Cp,gas	790.30	J/mol×K	1112.51	Joback Calculated Property

Similar Compounds

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

Sources

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

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