Chemical Properties of Isophthalic acid, 2-isopropoxyphenyl nonyl ester

InChI

InChI=1S/C26H34O5/c1-4-5-6-7-8-9-12-18-29-25(27)21-14-13-15-22(19-21)26(28)31-24-17-11-10-16-23(24)30-20(2)3/h10-11,13-17,19-20H,4-9,12,18H2,1-3H3

InChI Key

VTRWEFPEXDTZIN-UHFFFAOYSA-N

Formula

C26H34O5

SMILES

CCCCCCCCCOC(=O)c1cccc(C(=O)Oc2ccccc2OC(C)C)c1

Molecular Weight¹

426.55

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.1597		Relay (1.0) Calculated Property
ΔfG°	-201.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-864.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.64	kJ/mol	Joback Calculated Property
ΔvapH°	114.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-6.59		Relay (1.0) Calculated Property
logPoct/wat	6.600		Crippen Calculated Property
McVol	350.430	ml/mol	McGowan Calculated Property
Pc	1111.85	kPa	Joback Calculated Property
Inp	[3216.00; 3216.00]
Inp	3216.00		NIST
Inp	3216.00		NIST
Tboil	695.81	K	Relay (1.0) Calculated Property
Tc	938.61	K	Relay (1.0) Calculated Property
Tfus	321.39	K	Relay (1.0) Calculated Property
Vc	1.311	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1163.99; 1218.29]	J/mol×K	[1032.16; 1264.50]
Cp,gas	1163.99	J/mol×K	1032.16	Joback Calculated Property
Cp,gas	1177.23	J/mol×K	1070.88	Joback Calculated Property
Cp,gas	1188.74	J/mol×K	1109.61	Joback Calculated Property
Cp,gas	1198.57	J/mol×K	1148.33	Joback Calculated Property
Cp,gas	1206.74	J/mol×K	1187.05	Joback Calculated Property
Cp,gas	1213.30	J/mol×K	1225.78	Joback Calculated Property
Cp,gas	1218.29	J/mol×K	1264.50	Joback Calculated Property
η	[0.0000162; 0.0001801]	Pa×s	[612.21; 1032.16]
η	0.0001801	Pa×s	612.21	Joback Calculated Property
η	0.0000982	Pa×s	682.20	Joback Calculated Property
η	0.0000599	Pa×s	752.19	Joback Calculated Property
η	0.0000398	Pa×s	822.18	Joback Calculated Property
η	0.0000282	Pa×s	892.18	Joback Calculated Property
η	0.0000210	Pa×s	962.17	Joback Calculated Property
η	0.0000162	Pa×s	1032.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2-isopropoxyphenyl nonyl ester.

Sources

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

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