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

InChI

InChI=1S/C20H28O4/c1-4-5-6-7-8-9-13-23-19(21)17-11-10-12-18(14-17)20(22)24-15-16(2)3/h10-12,14H,2,4-9,13,15H2,1,3H3

InChI Key

RAZRHVLMYSKROS-UHFFFAOYSA-N

Formula

C20H28O4

SMILES

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

Molecular Weight¹

332.43

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9644		Relay (1.0) Calculated Property
ΔfG°	-168.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-740.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.19	kJ/mol	Joback Calculated Property
ΔvapH°	90.64	kJ/mol	Relay (1.0) Calculated Property
IE	9.15	eV	Relay (1.0) Calculated Property
log10WS	-5.92		Relay (1.0) Calculated Property
logPoct/wat	4.937		Crippen Calculated Property
McVol	279.480	ml/mol	McGowan Calculated Property
Pc	1389.18	kPa	Joback Calculated Property
Inp	[2501.00; 2501.00]
Inp	2501.00		NIST
Inp	2501.00		NIST
Tboil	650.74	K	Relay (1.0) Calculated Property
Tc	837.13	K	Relay (1.0) Calculated Property
Tfus	288.72	K	Relay (1.0) Calculated Property
Vc	1.035	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[850.07; 928.66]	J/mol×K	[837.80; 1040.87]
Cp,gas	850.07	J/mol×K	837.80	Joback Calculated Property
Cp,gas	865.85	J/mol×K	871.65	Joback Calculated Property
Cp,gas	880.51	J/mol×K	905.49	Joback Calculated Property
Cp,gas	894.10	J/mol×K	939.34	Joback Calculated Property
Cp,gas	906.63	J/mol×K	973.18	Joback Calculated Property
Cp,gas	918.14	J/mol×K	1007.03	Joback Calculated Property
Cp,gas	928.66	J/mol×K	1040.87	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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