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

InChI

InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-27(29)25-19-18-20-26(22-25)28(30)32-23-24(2)3/h18-20,22H,2,4-17,21,23H2,1,3H3

InChI Key

SVVYYRPJZBKZGE-UHFFFAOYSA-N

Formula

C28H44O4

SMILES

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

Molecular Weight¹

444.65

• 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°	-100.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-770.15	kJ/mol	Joback Calculated Property
ΔfusH°	64.91	kJ/mol	Joback Calculated Property
ΔvapH°	98.58	kJ/mol	Joback Calculated Property
log10WS	-9.34		Crippen Calculated Property
logPoct/wat	8.058		Crippen Calculated Property
McVol	392.200	ml/mol	McGowan Calculated Property
Pc	839.67	kPa	Joback Calculated Property
Inp	[3341.00; 3341.00]
Inp	3341.00		NIST
Inp	3341.00		NIST
Tboil	1020.84	K	Joback Calculated Property
Tc	1252.51	K	Joback Calculated Property
Tfus	572.86	K	Joback Calculated Property
Vc	1.526	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1338.87; 1422.50]	J/mol×K	[1020.84; 1252.51]
Cp,gas	1338.87	J/mol×K	1020.84	Joback Calculated Property
Cp,gas	1356.65	J/mol×K	1059.45	Joback Calculated Property
Cp,gas	1372.80	J/mol×K	1098.06	Joback Calculated Property
Cp,gas	1387.38	J/mol×K	1136.68	Joback Calculated Property
Cp,gas	1400.48	J/mol×K	1175.29	Joback Calculated Property
Cp,gas	1412.16	J/mol×K	1213.90	Joback Calculated Property
Cp,gas	1422.50	J/mol×K	1252.51	Joback Calculated Property

Similar Compounds

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

Sources

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

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