Chemical Properties of Isophthalic acid, 2-ethylphenyl pentyl ester

InChI

InChI=1S/C21H24O4/c1-3-5-8-14-24-20(22)17-11-9-12-18(15-17)21(23)25-19-13-7-6-10-16(19)4-2/h6-7,9-13,15H,3-5,8,14H2,1-2H3

InChI Key

NYLILUOUARHGLX-UHFFFAOYSA-N

Formula

C21H24O4

SMILES

CCCCCOC(=O)c1cccc(C(=O)Oc2ccccc2CC)c1

Molecular Weight¹

340.42

• 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	0.9534		Relay (1.0) Calculated Property
ΔfH°gas	-630.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.02	kJ/mol	Joback Calculated Property
ΔvapH°	99.37	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.70		Relay (1.0) Calculated Property
logPoct/wat	4.815		Crippen Calculated Property
McVol	274.110	ml/mol	McGowan Calculated Property
Pc	1587.28	kPa	Joback Calculated Property
Inp	[2608.00; 2608.00]
Inp	2608.00		NIST
Inp	2608.00		NIST
Tboil	659.37	K	Relay (1.0) Calculated Property
Tc	904.72	K	Relay (1.0) Calculated Property
Tfus	298.31	K	Relay (1.0) Calculated Property
Vc	1.011	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	[838.22; 904.28]	J/mol×K	[895.78; 1118.92]
Cp,gas	838.22	J/mol×K	895.78	Joback Calculated Property
Cp,gas	852.39	J/mol×K	932.97	Joback Calculated Property
Cp,gas	865.25	J/mol×K	970.16	Joback Calculated Property
Cp,gas	876.83	J/mol×K	1007.35	Joback Calculated Property
Cp,gas	887.18	J/mol×K	1044.54	Joback Calculated Property
Cp,gas	896.32	J/mol×K	1081.73	Joback Calculated Property
Cp,gas	904.28	J/mol×K	1118.92	Joback Calculated Property
η	[0.0000498; 0.0004108]	Pa×s	[548.63; 895.78]
η	0.0004108	Pa×s	548.63	Joback Calculated Property
η	0.0002443	Pa×s	606.49	Joback Calculated Property
η	0.0001591	Pa×s	664.35	Joback Calculated Property
η	0.0001109	Pa×s	722.20	Joback Calculated Property
η	0.0000816	Pa×s	780.06	Joback Calculated Property
η	0.0000626	Pa×s	837.92	Joback Calculated Property
η	0.0000498	Pa×s	895.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2-ethylphenyl pentyl ester.

Sources

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

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