Chemical Properties of Isophthalic acid, 4-chloro-2-methylphenyl pentyl ester

InChI

InChI=1S/C20H21ClO4/c1-3-4-5-11-24-19(22)15-7-6-8-16(13-15)20(23)25-18-10-9-17(21)12-14(18)2/h6-10,12-13H,3-5,11H2,1-2H3

InChI Key

FDSDGQAJKBUIBC-UHFFFAOYSA-N

Formula

C20H21ClO4

SMILES

CCCCCOC(=O)c1cccc(C(=O)Oc2ccc(Cl)cc2C)c1

Molecular Weight¹

360.83

• 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	0.9308		Relay (1.0) Calculated Property
ΔfusH°	47.41	kJ/mol	Joback Calculated Property
log10WS	-6.15		Relay (1.0) Calculated Property
logPoct/wat	5.215		Crippen Calculated Property
McVol	272.260	ml/mol	McGowan Calculated Property
Pc	1540.29	kPa	Joback Calculated Property
Inp	[2825.00; 2825.00]
Inp	2825.00		NIST
Inp	2825.00		NIST
Tboil	666.55	K	Relay (1.0) Calculated Property
Tc	921.46	K	Relay (1.0) Calculated Property
Tfus	302.44	K	Relay (1.0) Calculated Property
Vc	0.995	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	[792.99; 850.10]	J/mol×K	[879.37; 1104.28]
Cp,gas	792.99	J/mol×K	879.37	Joback Calculated Property
Cp,gas	805.83	J/mol×K	916.86	Joback Calculated Property
Cp,gas	817.30	J/mol×K	954.34	Joback Calculated Property
Cp,gas	827.43	J/mol×K	991.83	Joback Calculated Property
Cp,gas	836.25	J/mol×K	1029.31	Joback Calculated Property
Cp,gas	843.80	J/mol×K	1066.80	Joback Calculated Property
Cp,gas	850.10	J/mol×K	1104.28	Joback Calculated Property
η	[0.0000383; 0.0004225]	Pa×s	[520.14; 879.37]
η	0.0004225	Pa×s	520.14	Joback Calculated Property
η	0.0002303	Pa×s	580.01	Joback Calculated Property
η	0.0001406	Pa×s	639.88	Joback Calculated Property
η	0.0000934	Pa×s	699.75	Joback Calculated Property
η	0.0000662	Pa×s	759.63	Joback Calculated Property
η	0.0000493	Pa×s	819.50	Joback Calculated Property
η	0.0000383	Pa×s	879.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 4-chloro-2-methylphenyl pentyl ester.

Sources

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

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