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

InChI

InChI=1S/C16H20O4/c1-11(2)9-19-15(17)13-6-5-7-14(8-13)16(18)20-10-12(3)4/h5-8,12H,1,9-10H2,2-4H3

InChI Key

LYYMINXRIAPCJW-UHFFFAOYSA-N

Formula

C16H20O4

SMILES

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

Molecular Weight¹

276.33

• 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°	-204.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-527.75	kJ/mol	Joback Calculated Property
ΔfusH°	30.31	kJ/mol	Joback Calculated Property
ΔvapH°	71.48	kJ/mol	Joback Calculated Property
log10WS	-4.08		Crippen Calculated Property
logPoct/wat	3.232		Crippen Calculated Property
McVol	223.120	ml/mol	McGowan Calculated Property
Pc	1905.24	kPa	Joback Calculated Property
Inp	[2033.00; 2033.00]
Inp	2033.00		NIST
Inp	2033.00		NIST
Tboil	745.84	K	Joback Calculated Property
Tc	956.28	K	Joback Calculated Property
Tfus	422.62	K	Joback Calculated Property
Vc	0.848	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.67; 698.73]	J/mol×K	[745.84; 956.28]
Cp,gas	623.67	J/mol×K	745.84	Joback Calculated Property
Cp,gas	638.66	J/mol×K	780.91	Joback Calculated Property
Cp,gas	652.64	J/mol×K	815.99	Joback Calculated Property
Cp,gas	665.62	J/mol×K	851.06	Joback Calculated Property
Cp,gas	677.61	J/mol×K	886.13	Joback Calculated Property
Cp,gas	688.64	J/mol×K	921.20	Joback Calculated Property
Cp,gas	698.73	J/mol×K	956.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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