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

InChI

InChI=1S/C21H30O4/c1-4-5-6-7-8-9-14-24-20(22)18-11-10-12-19(16-18)21(23)25-15-13-17(2)3/h10-13,16H,4-9,14-15H2,1-3H3

InChI Key

ZEYYHAOHFREYFN-UHFFFAOYSA-N

Formula

C21H30O4

SMILES

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

Molecular Weight¹

346.46

• 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°	-167.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-633.88	kJ/mol	Joback Calculated Property
ΔfusH°	48.26	kJ/mol	Joback Calculated Property
ΔvapH°	83.63	kJ/mol	Joback Calculated Property
log10WS	-6.41		Crippen Calculated Property
logPoct/wat	5.327		Crippen Calculated Property
McVol	293.570	ml/mol	McGowan Calculated Property
Pc	1304.23	kPa	Joback Calculated Property
Inp	[2656.00; 2656.00]
Inp	2656.00		NIST
Inp	2656.00		NIST
Tboil	868.16	K	Joback Calculated Property
Tc	1074.35	K	Joback Calculated Property
Tfus	490.65	K	Joback Calculated Property
Vc	1.133	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[909.91; 989.94]	J/mol×K	[868.16; 1074.35]
Cp,gas	909.91	J/mol×K	868.16	Joback Calculated Property
Cp,gas	925.91	J/mol×K	902.52	Joback Calculated Property
Cp,gas	940.80	J/mol×K	936.89	Joback Calculated Property
Cp,gas	954.61	J/mol×K	971.25	Joback Calculated Property
Cp,gas	967.38	J/mol×K	1005.62	Joback Calculated Property
Cp,gas	979.14	J/mol×K	1039.98	Joback Calculated Property
Cp,gas	989.94	J/mol×K	1074.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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