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

InChI

InChI=1S/C26H32Cl2O4/c1-2-3-4-5-6-7-8-9-12-17-31-25(29)22-13-10-11-14-23(22)26(30)32-19-20-18-21(27)15-16-24(20)28/h10-11,13-16,18H,2-9,12,17,19H2,1H3

InChI Key

MZHQUPHSFHTVPI-UHFFFAOYSA-N

Formula

C26H32Cl2O4

SMILES

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

Molecular Weight¹

479.44

• 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	1.1804		Relay (1.0) Calculated Property
ΔfH°gas	-774.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.98	kJ/mol	Joback Calculated Property
ΔvapH°	132.36	kJ/mol	Relay (1.0) Calculated Property
log10WS	-8.45		Relay (1.0) Calculated Property
logPoct/wat	8.038		Crippen Calculated Property
McVol	369.040	ml/mol	McGowan Calculated Property
Pc	1054.83	kPa	Joback Calculated Property
Inp	[3322.00; 3322.00]
Inp	3322.00		NIST
Inp	3322.00		NIST
Tboil	718.14	K	Relay (1.0) Calculated Property
Tc	971.38	K	Relay (1.0) Calculated Property
Tfus	307.61	K	Relay (1.0) Calculated Property
Vc	1.357	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	[1177.56; 1224.65]	J/mol×K	[1090.02; 1334.49]
Cp,gas	1177.56	J/mol×K	1090.02	Joback Calculated Property
Cp,gas	1189.12	J/mol×K	1130.77	Joback Calculated Property
Cp,gas	1199.11	J/mol×K	1171.51	Joback Calculated Property
Cp,gas	1207.59	J/mol×K	1212.26	Joback Calculated Property
Cp,gas	1214.63	J/mol×K	1253.00	Joback Calculated Property
Cp,gas	1220.29	J/mol×K	1293.75	Joback Calculated Property
Cp,gas	1224.65	J/mol×K	1334.49	Joback Calculated Property
η	[0.0000176; 0.0001428]	Pa×s	[677.34; 1090.02]
η	0.0001428	Pa×s	677.34	Joback Calculated Property
η	0.0000857	Pa×s	746.12	Joback Calculated Property
η	0.0000561	Pa×s	814.90	Joback Calculated Property
η	0.0000392	Pa×s	883.68	Joback Calculated Property
η	0.0000289	Pa×s	952.46	Joback Calculated Property
η	0.0000221	Pa×s	1021.24	Joback Calculated Property
η	0.0000176	Pa×s	1090.02	Joback Calculated Property

Similar Compounds

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