Chemical Properties of Fumaric acid, 2-methoxyphenyl tridec-2-yn-1-yl ester

InChI

InChI=1S/C24H32O5/c1-3-4-5-6-7-8-9-10-11-12-15-20-28-23(25)18-19-24(26)29-22-17-14-13-16-21(22)27-2/h13-14,16-19H,3-11,20H2,1-2H3/b19-18+

InChI Key

JPSRYUVRDCWTHI-VHEBQXMUSA-N

Formula

C24H32O5

SMILES

CCCCCCCCCCC#CCOC(=O)C=CC(=O)Oc1ccccc1OC

Molecular Weight¹

400.51

• 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°	-35.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-545.93	kJ/mol	Joback Calculated Property
ΔfusH°	61.65	kJ/mol	Joback Calculated Property
ΔvapH°	94.79	kJ/mol	Joback Calculated Property
log10WS	-6.69		Crippen Calculated Property
logPoct/wat	5.234		Crippen Calculated Property
McVol	333.110	ml/mol	McGowan Calculated Property
Pc	1173.63	kPa	Joback Calculated Property
Inp	[2996.00; 2996.00]
Inp	2996.00		NIST
Inp	2996.00		NIST
Tboil	968.34	K	Joback Calculated Property
Tc	1188.83	K	Joback Calculated Property
Tfus	666.75	K	Joback Calculated Property
Vc	1.280	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1064.84; 1134.46]	J/mol×K	[968.34; 1188.83]
Cp,gas	1064.84	J/mol×K	968.34	Joback Calculated Property
Cp,gas	1079.76	J/mol×K	1005.09	Joback Calculated Property
Cp,gas	1093.31	J/mol×K	1041.84	Joback Calculated Property
Cp,gas	1105.51	J/mol×K	1078.59	Joback Calculated Property
Cp,gas	1116.42	J/mol×K	1115.33	Joback Calculated Property
Cp,gas	1126.05	J/mol×K	1152.08	Joback Calculated Property
Cp,gas	1134.46	J/mol×K	1188.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-methoxyphenyl tridec-2-yn-1-yl ester.

Sources

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

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