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

InChI

InChI=1S/C28H36Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-19-33-27(31)24-15-12-13-16-25(24)28(32)34-21-22-17-18-23(29)20-26(22)30/h12-13,15-18,20H,2-11,14,19,21H2,1H3

InChI Key

PTXCKIVRSGPSGW-UHFFFAOYSA-N

Formula

C28H36Cl2O4

SMILES

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

Molecular Weight¹

507.49

• 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	1.2567		Relay (1.0) Calculated Property
ΔfH°gas	-815.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.32	kJ/mol	Joback Calculated Property
ΔvapH°	141.18	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.95		Relay (1.0) Calculated Property
logPoct/wat	8.818		Crippen Calculated Property
McVol	397.220	ml/mol	McGowan Calculated Property
Pc	889.47	kPa	Joback Calculated Property
Inp	[3492.00; 3492.00]
Inp	3492.00		NIST
Inp	3492.00		NIST
Tboil	730.72	K	Relay (1.0) Calculated Property
Tc	983.89	K	Relay (1.0) Calculated Property
Tfus	305.24	K	Relay (1.0) Calculated Property
Vc	1.467	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	[1285.88; 1329.37]	J/mol×K	[1099.84; 1347.42]
Cp,gas	1285.88	J/mol×K	1099.84	Joback Calculated Property
Cp,gas	1297.28	J/mol×K	1141.10	Joback Calculated Property
Cp,gas	1306.90	J/mol×K	1182.37	Joback Calculated Property
Cp,gas	1314.83	J/mol×K	1223.63	Joback Calculated Property
Cp,gas	1321.17	J/mol×K	1264.89	Joback Calculated Property
Cp,gas	1325.98	J/mol×K	1306.15	Joback Calculated Property
Cp,gas	1329.37	J/mol×K	1347.42	Joback Calculated Property
η	[0.0000094; 0.0001268]	Pa×s	[640.22; 1099.84]
η	0.0001268	Pa×s	640.22	Joback Calculated Property
η	0.0000652	Pa×s	716.82	Joback Calculated Property
η	0.0000382	Pa×s	793.43	Joback Calculated Property
η	0.0000245	Pa×s	870.03	Joback Calculated Property
η	0.0000169	Pa×s	946.63	Joback Calculated Property
η	0.0000124	Pa×s	1023.24	Joback Calculated Property
η	0.0000094	Pa×s	1099.84	Joback Calculated Property

Similar Compounds

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