Chemical Properties of Isophthalic acid, di(2-methylprop-2-en-1-yl) ester

InChI

InChI=1S/C16H18O4/c1-11(2)9-19-15(17)13-6-5-7-14(8-13)16(18)20-10-12(3)4/h5-8H,1,3,9-10H2,2,4H3

InChI Key

WUXYABHDDLIPKK-UHFFFAOYSA-N

Formula

C16H18O4

SMILES

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

Molecular Weight¹

274.31

• 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°	-122.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-406.83	kJ/mol	Joback Calculated Property
ΔfusH°	31.24	kJ/mol	Joback Calculated Property
ΔvapH°	71.28	kJ/mol	Joback Calculated Property
log10WS	-4.18		Crippen Calculated Property
logPoct/wat	3.152		Crippen Calculated Property
McVol	218.820	ml/mol	McGowan Calculated Property
Pc	1971.80	kPa	Joback Calculated Property
Inp	[2056.00; 2056.00]
Inp	2056.00		NIST
Inp	2056.00		NIST
Tboil	742.84	K	Joback Calculated Property
Tc	956.03	K	Joback Calculated Property
Tfus	421.90	K	Joback Calculated Property
Vc	0.836	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[597.94; 669.89]	J/mol×K	[742.84; 956.03]
Cp,gas	597.94	J/mol×K	742.84	Joback Calculated Property
Cp,gas	612.32	J/mol×K	778.37	Joback Calculated Property
Cp,gas	625.71	J/mol×K	813.90	Joback Calculated Property
Cp,gas	638.13	J/mol×K	849.43	Joback Calculated Property
Cp,gas	649.63	J/mol×K	884.97	Joback Calculated Property
Cp,gas	660.20	J/mol×K	920.50	Joback Calculated Property
Cp,gas	669.89	J/mol×K	956.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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