Chemical Properties of Isophthalic acid, 3-methylbut-2-en-1-yl nonyl ester

InChI

InChI=1S/C22H32O4/c1-4-5-6-7-8-9-10-15-25-21(23)19-12-11-13-20(17-19)22(24)26-16-14-18(2)3/h11-14,17H,4-10,15-16H2,1-3H3

InChI Key

ZFXUQHXZQKWQMU-UHFFFAOYSA-N

Formula

C22H32O4

SMILES

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

Molecular Weight¹

360.49

• 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	1.0001		Relay (1.0) Calculated Property
ΔfG°	-159.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-796.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.85	kJ/mol	Joback Calculated Property
ΔvapH°	99.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-6.61		Relay (1.0) Calculated Property
logPoct/wat	5.717		Crippen Calculated Property
McVol	307.660	ml/mol	McGowan Calculated Property
Pc	1218.29	kPa	Joback Calculated Property
Inp	[2754.00; 2754.00]
Inp	2754.00		NIST
Inp	2754.00		NIST
Tboil	653.32	K	Relay (1.0) Calculated Property
Tc	852.90	K	Relay (1.0) Calculated Property
Tfus	292.90	K	Relay (1.0) Calculated Property
Vc	1.137	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[969.66; 1050.51]	J/mol×K	[891.04; 1098.35]
Cp,gas	969.66	J/mol×K	891.04	Joback Calculated Property
Cp,gas	985.88	J/mol×K	925.59	Joback Calculated Property
Cp,gas	1000.95	J/mol×K	960.14	Joback Calculated Property
Cp,gas	1014.90	J/mol×K	994.69	Joback Calculated Property
Cp,gas	1027.78	J/mol×K	1029.24	Joback Calculated Property
Cp,gas	1039.64	J/mol×K	1063.80	Joback Calculated Property
Cp,gas	1050.51	J/mol×K	1098.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 3-methylbut-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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