Chemical Properties of Fumaric acid, 2,6-dimethoxyphenyl tridec-2-yn-1-yl ester

InChI

InChI=1S/C25H34O6/c1-4-5-6-7-8-9-10-11-12-13-14-20-30-23(26)18-19-24(27)31-25-21(28-2)16-15-17-22(25)29-3/h15-19H,4-12,20H2,1-3H3/b19-18+

InChI Key

APPSVOZDNNVMKI-VHEBQXMUSA-N

Formula

C25H34O6

SMILES

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

Molecular Weight¹

430.53

• 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°	-142.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-710.26	kJ/mol	Joback Calculated Property
ΔfusH°	65.04	kJ/mol	Joback Calculated Property
ΔvapH°	100.09	kJ/mol	Joback Calculated Property
log10WS	-6.81		Crippen Calculated Property
logPoct/wat	5.243		Crippen Calculated Property
McVol	353.070	ml/mol	McGowan Calculated Property
Pc	1077.10	kPa	Joback Calculated Property
Inp	[3128.00; 3128.00]
Inp	3128.00		NIST
Inp	3128.00		NIST
Tboil	1018.62	K	Joback Calculated Property
Tc	1247.25	K	Joback Calculated Property
Tfus	712.77	K	Joback Calculated Property
Vc	1.353	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1152.23; 1210.52]	J/mol×K	[1018.62; 1247.25]
Cp,gas	1152.23	J/mol×K	1018.62	Joback Calculated Property
Cp,gas	1166.11	J/mol×K	1056.73	Joback Calculated Property
Cp,gas	1178.30	J/mol×K	1094.83	Joback Calculated Property
Cp,gas	1188.82	J/mol×K	1132.94	Joback Calculated Property
Cp,gas	1197.69	J/mol×K	1171.04	Joback Calculated Property
Cp,gas	1204.91	J/mol×K	1209.15	Joback Calculated Property
Cp,gas	1210.52	J/mol×K	1247.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,6-dimethoxyphenyl tridec-2-yn-1-yl ester.

Sources

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

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