Chemical Properties of Isophthalic acid, ethyl 2-methylprop-2-en-1-yl ester

InChI

InChI=1S/C14H16O4/c1-4-17-13(15)11-6-5-7-12(8-11)14(16)18-9-10(2)3/h5-8H,2,4,9H2,1,3H3

InChI Key

FXAHNIAERYRWNQ-UHFFFAOYSA-N

Formula

C14H16O4

SMILES

C=C(C)COC(=O)c1cccc(C(=O)OCC)c1

Molecular Weight¹

248.27

• ω : Acentric Factor.
• 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).
• 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	0.7135		Relay (... Calculated Property
ΔfG°	-218.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-621.34	kJ/mol	Relay (... Calculated Property
ΔfusH°	28.65	kJ/mol	Joback Calculated Property
ΔvapH°	75.98	kJ/mol	Relay (... Calculated Property
IE	9.23	eV	Relay (... Calculated Property
log10WS	-3.98		Relay (... Calculated Property
logPoct/wat	2.596		Crippen Calculated Property
McVol	194.940	ml/mol	McGowan Calculated Property
Pc	2252.53	kPa	Joback Calculated Property
Inp	[1878.00; 1878.00]
Inp	1878.00		NIST
Inp	1878.00		NIST
Tboil	598.62	K	Relay (... Calculated Property
Tc	777.76	K	Relay (... Calculated Property
Tfus	290.76	K	Relay (... Calculated Property
Vc	0.716	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[515.96; 586.39]	J/mol×K	[700.52; 912.97]
Cp,gas	515.96	J/mol×K	700.52	Joback Calculated Property
Cp,gas	529.93	J/mol×K	735.93	Joback Calculated Property
Cp,gas	542.99	J/mol×K	771.34	Joback Calculated Property
Cp,gas	555.16	J/mol×K	806.74	Joback Calculated Property
Cp,gas	566.44	J/mol×K	842.15	Joback Calculated Property
Cp,gas	576.84	J/mol×K	877.56	Joback Calculated Property
Cp,gas	586.39	J/mol×K	912.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, ethyl 2-methylprop-2-en-1-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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