Chemical Properties of Isophthalic acid, 2,4-dichlorophenyl heptyl ester

InChI

InChI=1S/C21H22Cl2O4/c1-2-3-4-5-6-12-26-20(24)15-8-7-9-16(13-15)21(25)27-19-11-10-17(22)14-18(19)23/h7-11,13-14H,2-6,12H2,1H3

InChI Key

BMGJUHHOVHKCTE-UHFFFAOYSA-N

Formula

C21H22Cl2O4

SMILES

CCCCCCCOC(=O)c1cccc(C(=O)Oc2ccc(Cl)cc2Cl)c1

Molecular Weight¹

409.30

• 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).
• 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	1.0152		Relay (1.0) Calculated Property
ΔfusH°	51.03	kJ/mol	Joback Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-7.19		Relay (1.0) Calculated Property
logPoct/wat	6.340		Crippen Calculated Property
McVol	298.590	ml/mol	McGowan Calculated Property
Pc	1480.43	kPa	Joback Calculated Property
Inp	[3131.00; 3131.00]
Inp	3131.00		NIST
Inp	3131.00		NIST
Tboil	675.41	K	Relay (1.0) Calculated Property
Tc	945.81	K	Relay (1.0) Calculated Property
Tfus	310.55	K	Relay (1.0) Calculated Property
Vc	1.091	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 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	[880.88; 929.54]	J/mol×K	[975.62; 1207.92]
Cp,gas	880.88	J/mol×K	975.62	Joback Calculated Property
Cp,gas	892.17	J/mol×K	1014.34	Joback Calculated Property
Cp,gas	902.14	J/mol×K	1053.05	Joback Calculated Property
Cp,gas	910.83	J/mol×K	1091.77	Joback Calculated Property
Cp,gas	918.26	J/mol×K	1130.49	Joback Calculated Property
Cp,gas	924.49	J/mol×K	1169.20	Joback Calculated Property
Cp,gas	929.54	J/mol×K	1207.92	Joback Calculated Property
η	[0.0000375; 0.0002554]	Pa×s	[620.99; 975.62]
η	0.0002554	Pa×s	620.99	Joback Calculated Property
η	0.0001614	Pa×s	680.10	Joback Calculated Property
η	0.0001098	Pa×s	739.20	Joback Calculated Property
η	0.0000790	Pa×s	798.30	Joback Calculated Property
η	0.0000595	Pa×s	857.41	Joback Calculated Property
η	0.0000465	Pa×s	916.51	Joback Calculated Property
η	0.0000375	Pa×s	975.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2,4-dichlorophenyl heptyl ester.

Sources

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

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