Chemical Properties of Phthalic acid, 2,4-dichlorobenzyl propyl ester

InChI

InChI=1S/C18H16Cl2O4/c1-2-9-23-17(21)14-5-3-4-6-15(14)18(22)24-11-12-7-8-13(19)10-16(12)20/h3-8,10H,2,9,11H2,1H3

InChI Key

LJYMZTMHXFBHCR-UHFFFAOYSA-N

Formula

C18H16Cl2O4

SMILES

CCCOC(=O)c1ccccc1C(=O)OCc1ccc(Cl)cc1Cl

Molecular Weight¹

367.22

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-600.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.26	kJ/mol	Joback Calculated Property
ΔvapH°	103.44	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.02		Relay (1.0) Calculated Property
logPoct/wat	4.917		Crippen Calculated Property
McVol	256.320	ml/mol	McGowan Calculated Property
Pc	1872.41	kPa	Joback Calculated Property
Inp	[2529.00; 2529.00]
Inp	2529.00		NIST
Inp	2529.00		NIST
Tboil	663.38	K	Relay (1.0) Calculated Property
Tfus	309.08	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[709.35; 757.26]	J/mol×K	[906.98; 1142.81]
Cp,gas	709.35	J/mol×K	906.98	Joback Calculated Property
Cp,gas	720.35	J/mol×K	946.28	Joback Calculated Property
Cp,gas	730.10	J/mol×K	985.59	Joback Calculated Property
Cp,gas	738.64	J/mol×K	1024.89	Joback Calculated Property
Cp,gas	746.00	J/mol×K	1064.20	Joback Calculated Property
Cp,gas	752.20	J/mol×K	1103.50	Joback Calculated Property
Cp,gas	757.26	J/mol×K	1142.81	Joback Calculated Property
η	[0.0000577; 0.0003488]	Pa×s	[587.18; 906.98]
η	0.0003488	Pa×s	587.18	Joback Calculated Property
η	0.0002281	Pa×s	640.48	Joback Calculated Property
η	0.0001592	Pa×s	693.78	Joback Calculated Property
η	0.0001170	Pa×s	747.08	Joback Calculated Property
η	0.0000895	Pa×s	800.38	Joback Calculated Property
η	0.0000709	Pa×s	853.68	Joback Calculated Property
η	0.0000577	Pa×s	906.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,4-dichlorobenzyl propyl 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.