Chemical Properties of 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid, dimethyl ester (CAS 72719-10-9)

InChI

InChI=1S/C14H20O5/c1-5-6-10-9(2)13(14(16)18-4)11(19-10)7-8-12(15)17-3/h5-8H2,1-4H3

InChI Key

MFHNAPOFQOZYAR-UHFFFAOYSA-N

Formula

C14H20O5

SMILES

CCCc1oc(CCC(=O)OC)c(C(=O)OC)c1C

Molecular Weight¹

268.31

CAS

72719-10-9

Other Names

• Furan-3-carboxylic acid, 4-methyl-2-(2-methoxycarbonylethyl)-5-propyl, methyl ester

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.8036		Relay (... Calculated Property
ΔfG°	-446.58	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-872.67	kJ/mol	Relay (... Calculated Property
ΔvapH°	86.46	kJ/mol	Relay (... Calculated Property
IE	8.28	eV	Relay (... Calculated Property
log10WS	-2.88		Relay (... Calculated Property
logPoct/wat	2.433		Crippen Calculated Property
McVol	209.410	ml/mol	McGowan Calculated Property
Pc	1737.09	kPa	Relay (... Calculated Property ⚠️
Inp	[1938.00; 1938.00]
Inp	1938.00		NIST
Inp	1938.00		NIST
Tboil	578.84	K	Relay (... Calculated Property
Tc	779.42	K	Relay (... Calculated Property
Tfus	311.23	K	Relay (... Calculated Property
Vc	0.798	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid, dimethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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