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

InChI

InChI=1S/C21H30O4/c1-4-5-6-7-8-9-10-14-24-20(22)18-12-11-13-19(15-18)21(23)25-16-17(2)3/h11-13,15H,2,4-10,14,16H2,1,3H3

InChI Key

XEMFCKQLDTURHE-UHFFFAOYSA-N

Formula

C21H30O4

SMILES

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

Molecular Weight¹

346.46

• 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	1.0031		Relay (... Calculated Property
ΔfG°	-159.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-762.40	kJ/mol	Relay (... Calculated Property
ΔfusH°	46.78	kJ/mol	Joback Calculated Property
ΔvapH°	94.72	kJ/mol	Relay (... Calculated Property
IE	9.16	eV	Relay (... Calculated Property
log10WS	-6.22		Relay (... Calculated Property
logPoct/wat	5.327		Crippen Calculated Property
McVol	293.570	ml/mol	McGowan Calculated Property
Pc	1294.86	kPa	Joback Calculated Property
Inp	[2607.00; 2607.00]
Inp	2607.00		NIST
Inp	2607.00		NIST
Tboil	657.88	K	Relay (... Calculated Property
Tc	845.00	K	Relay (... Calculated Property
Tfus	291.03	K	Relay (... Calculated Property
Vc	1.090	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[909.00; 988.30]	J/mol×K	[860.68; 1064.32]
Cp,gas	909.00	J/mol×K	860.68	Joback Calculated Property
Cp,gas	924.98	J/mol×K	894.62	Joback Calculated Property
Cp,gas	939.81	J/mol×K	928.56	Joback Calculated Property
Cp,gas	953.53	J/mol×K	962.50	Joback Calculated Property
Cp,gas	966.16	J/mol×K	996.44	Joback Calculated Property
Cp,gas	977.74	J/mol×K	1030.38	Joback Calculated Property
Cp,gas	988.30	J/mol×K	1064.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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