Chemical Properties of Phthalic acid, 2,5-dichlorobenzyl pentyl ester

InChI

InChI=1S/C20H20Cl2O4/c1-2-3-6-11-25-19(23)16-7-4-5-8-17(16)20(24)26-13-14-12-15(21)9-10-18(14)22/h4-5,7-10,12H,2-3,6,11,13H2,1H3

InChI Key

XVATYNXRLZPFCH-UHFFFAOYSA-N

Formula

C20H20Cl2O4

SMILES

CCCCCOC(=O)c1ccccc1C(=O)OCc1cc(Cl)ccc1Cl

Molecular Weight¹

395.28

• 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	0.9354		Relay (1.0) Calculated Property
ΔfH°gas	-642.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.44	kJ/mol	Joback Calculated Property
ΔvapH°	110.60	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.67		Relay (1.0) Calculated Property
logPoct/wat	5.697		Crippen Calculated Property
McVol	284.500	ml/mol	McGowan Calculated Property
Pc	1596.17	kPa	Joback Calculated Property
Inp	[2719.00; 2719.00]
Inp	2719.00		NIST
Inp	2719.00		NIST
Tboil	675.82	K	Relay (1.0) Calculated Property
Tc	933.64	K	Relay (1.0) Calculated Property
Tfus	299.04	K	Relay (1.0) Calculated Property
Vc	1.031	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	[823.06; 871.66]	J/mol×K	[952.74; 1185.41]
Cp,gas	823.06	J/mol×K	952.74	Joback Calculated Property
Cp,gas	834.27	J/mol×K	991.52	Joback Calculated Property
Cp,gas	844.20	J/mol×K	1030.30	Joback Calculated Property
Cp,gas	852.87	J/mol×K	1069.08	Joback Calculated Property
Cp,gas	860.32	J/mol×K	1107.86	Joback Calculated Property
Cp,gas	866.57	J/mol×K	1146.64	Joback Calculated Property
Cp,gas	871.66	J/mol×K	1185.41	Joback Calculated Property
η	[0.0000433; 0.0002844]	Pa×s	[609.72; 952.74]
η	0.0002844	Pa×s	609.72	Joback Calculated Property
η	0.0001817	Pa×s	666.89	Joback Calculated Property
η	0.0001246	Pa×s	724.06	Joback Calculated Property
η	0.0000903	Pa×s	781.23	Joback Calculated Property
η	0.0000684	Pa×s	838.40	Joback Calculated Property
η	0.0000537	Pa×s	895.57	Joback Calculated Property
η	0.0000433	Pa×s	952.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 2,5-dichlorobenzyl pentyl 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.