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

InChI

InChI=1S/C23H34O4/c1-4-5-6-7-8-9-10-11-12-16-26-22(24)20-14-13-15-21(17-20)23(25)27-18-19(2)3/h13-15,17H,2,4-12,16,18H2,1,3H3

InChI Key

VDOVZIWCQHESRM-UHFFFAOYSA-N

Formula

C23H34O4

SMILES

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

Molecular Weight¹

374.51

• 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°	-142.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-666.95	kJ/mol	Joback Calculated Property
ΔfusH°	51.96	kJ/mol	Joback Calculated Property
ΔvapH°	87.45	kJ/mol	Joback Calculated Property
log10WS	-7.25		Crippen Calculated Property
logPoct/wat	6.107		Crippen Calculated Property
McVol	321.750	ml/mol	McGowan Calculated Property
Pc	1132.91	kPa	Joback Calculated Property
Inp	[2806.00; 2806.00]
Inp	2806.00		NIST
Inp	2806.00		NIST
Tboil	906.44	K	Joback Calculated Property
Tc	1113.48	K	Joback Calculated Property
Tfus	516.51	K	Joback Calculated Property
Vc	1.246	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1029.01; 1109.54]	J/mol×K	[906.44; 1113.48]
Cp,gas	1029.01	J/mol×K	906.44	Joback Calculated Property
Cp,gas	1045.41	J/mol×K	940.95	Joback Calculated Property
Cp,gas	1060.56	J/mol×K	975.45	Joback Calculated Property
Cp,gas	1074.52	J/mol×K	1009.96	Joback Calculated Property
Cp,gas	1087.31	J/mol×K	1044.47	Joback Calculated Property
Cp,gas	1098.97	J/mol×K	1078.97	Joback Calculated Property
Cp,gas	1109.54	J/mol×K	1113.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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