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_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
ω	1.1597		Relay (1.0) Calculated Property
ΔfH°gas	-864.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.80	kJ/mol	Joback Calculated Property
ΔvapH°	116.51	kJ/mol	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	1053.46	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	940.47	K	Relay (1.0) Calculated Property
Tfus	314.82	K	Relay (1.0) Calculated Property
Vc	1.312	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1151.39; 1206.52]	J/mol×K	[996.22; 1221.68]
Cp,gas	1151.39	J/mol×K	996.22	Joback Calculated Property
Cp,gas	1164.81	J/mol×K	1033.80	Joback Calculated Property
Cp,gas	1176.48	J/mol×K	1071.37	Joback Calculated Property
Cp,gas	1186.45	J/mol×K	1108.95	Joback Calculated Property
Cp,gas	1194.75	J/mol×K	1146.53	Joback Calculated Property
Cp,gas	1201.43	J/mol×K	1184.10	Joback Calculated Property
Cp,gas	1206.52	J/mol×K	1221.68	Joback Calculated Property
η	[0.0000122; 0.0002326]	Pa×s	[552.55; 996.22]
η	0.0002326	Pa×s	552.55	Joback Calculated Property
η	0.0001064	Pa×s	626.50	Joback Calculated Property
η	0.0000574	Pa×s	700.44	Joback Calculated Property
η	0.0000348	Pa×s	774.38	Joback Calculated Property
η	0.0000231	Pa×s	848.33	Joback Calculated Property
η	0.0000163	Pa×s	922.28	Joback Calculated Property
η	0.0000122	Pa×s	996.22	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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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