Chemical Properties of Isophthalic acid, 2-isopropoxyphenyl propyl ester

InChI

InChI=1S/C20H22O5/c1-4-12-23-19(21)15-8-7-9-16(13-15)20(22)25-18-11-6-5-10-17(18)24-14(2)3/h5-11,13-14H,4,12H2,1-3H3

InChI Key

JLGXDIBFODWUSU-UHFFFAOYSA-N

Formula

C20H22O5

SMILES

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

Molecular Weight¹

342.39

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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	0.9106		Relay (1.0) Calculated Property
ΔfusH°	41.26	kJ/mol	Joback Calculated Property
log10WS	-4.65		Relay (1.0) Calculated Property
logPoct/wat	4.260		Crippen Calculated Property
McVol	265.890	ml/mol	McGowan Calculated Property
Pc	1593.62	kPa	Joback Calculated Property
Inp	[2584.00; 2584.00]
Inp	2584.00		NIST
Inp	2584.00		NIST
Tboil	655.94	K	Relay (1.0) Calculated Property
Tc	896.33	K	Relay (1.0) Calculated Property
Tfus	321.35	K	Relay (1.0) Calculated Property
Vc	0.990	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[798.25; 859.78]	J/mol×K	[858.94; 1081.45]
Cp,gas	798.25	J/mol×K	858.94	Joback Calculated Property
Cp,gas	812.15	J/mol×K	896.03	Joback Calculated Property
Cp,gas	824.57	J/mol×K	933.11	Joback Calculated Property
Cp,gas	835.52	J/mol×K	970.20	Joback Calculated Property
Cp,gas	845.03	J/mol×K	1007.28	Joback Calculated Property
Cp,gas	853.11	J/mol×K	1044.37	Joback Calculated Property
Cp,gas	859.78	J/mol×K	1081.45	Joback Calculated Property
η	[0.0000300; 0.0004842]	Pa×s	[484.93; 858.94]
η	0.0004842	Pa×s	484.93	Joback Calculated Property
η	0.0002339	Pa×s	547.27	Joback Calculated Property
η	0.0001312	Pa×s	609.60	Joback Calculated Property
η	0.0000819	Pa×s	671.94	Joback Calculated Property
η	0.0000554	Pa×s	734.27	Joback Calculated Property
η	0.0000398	Pa×s	796.61	Joback Calculated Property
η	0.0000300	Pa×s	858.94	Joback Calculated Property

Similar Compounds

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

Sources

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

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