Chemical Properties of Isophthalic acid, 3-methylbut-2-en-1-yl propyl ester

InChI

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

InChI Key

JHRQSLHFZANJKR-UHFFFAOYSA-N

Formula

C16H20O4

SMILES

CCCOC(=O)c1cccc(C(=O)OCC=C(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°	-209.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-530.68	kJ/mol	Joback Calculated Property
ΔfusH°	35.31	kJ/mol	Joback Calculated Property
ΔvapH°	72.50	kJ/mol	Joback Calculated Property
log10WS	-4.32		Crippen Calculated Property
logPoct/wat	3.376		Crippen Calculated Property
McVol	223.120	ml/mol	McGowan Calculated Property
Pc	1908.57	kPa	Joback Calculated Property
Inp	[2128.00; 2128.00]
Inp	2128.00		NIST
Inp	2128.00		NIST
Tboil	753.76	K	Joback Calculated Property
Tc	964.50	K	Joback Calculated Property
Tfus	434.30	K	Joback Calculated Property
Vc	0.853	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[623.62; 698.03]	J/mol×K	[753.76; 964.50]
Cp,gas	623.62	J/mol×K	753.76	Joback Calculated Property
Cp,gas	638.38	J/mol×K	788.88	Joback Calculated Property
Cp,gas	652.17	J/mol×K	824.01	Joback Calculated Property
Cp,gas	665.00	J/mol×K	859.13	Joback Calculated Property
Cp,gas	676.91	J/mol×K	894.26	Joback Calculated Property
Cp,gas	687.91	J/mol×K	929.38	Joback Calculated Property
Cp,gas	698.03	J/mol×K	964.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3-methylbut-2-en-1-yl propyl ester.

Sources

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

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