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

InChI

InChI=1S/C24H36O4/c1-4-5-6-7-8-9-10-11-12-13-17-27-23(25)21-15-14-16-22(18-21)24(26)28-19-20(2)3/h14-16,18H,2,4-13,17,19H2,1,3H3

InChI Key

VIMSDFONXAHINE-UHFFFAOYSA-N

Formula

C24H36O4

SMILES

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

Molecular Weight¹

388.54

• 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°	-134.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-687.59	kJ/mol	Joback Calculated Property
ΔfusH°	54.55	kJ/mol	Joback Calculated Property
ΔvapH°	89.68	kJ/mol	Joback Calculated Property
log10WS	-7.67		Crippen Calculated Property
logPoct/wat	6.497		Crippen Calculated Property
McVol	335.840	ml/mol	McGowan Calculated Property
Pc	1063.10	kPa	Joback Calculated Property
Inp	[2911.00; 2911.00]
Inp	2911.00		NIST
Inp	2911.00		NIST
Tboil	929.32	K	Joback Calculated Property
Tc	1139.31	K	Joback Calculated Property
Tfus	527.78	K	Joback Calculated Property
Vc	1.302	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1089.97; 1171.08]	J/mol×K	[929.32; 1139.31]
Cp,gas	1089.97	J/mol×K	929.32	Joback Calculated Property
Cp,gas	1106.59	J/mol×K	964.32	Joback Calculated Property
Cp,gas	1121.92	J/mol×K	999.32	Joback Calculated Property
Cp,gas	1135.98	J/mol×K	1034.32	Joback Calculated Property
Cp,gas	1148.84	J/mol×K	1069.32	Joback Calculated Property
Cp,gas	1160.52	J/mol×K	1104.31	Joback Calculated Property
Cp,gas	1171.08	J/mol×K	1139.31	Joback Calculated Property

Similar Compounds

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

Sources

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

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