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

InChI

InChI=1S/C24H28Cl2O4/c1-2-3-4-5-6-7-10-15-29-23(27)20-11-8-9-12-21(20)24(28)30-17-18-16-19(25)13-14-22(18)26/h8-9,11-14,16H,2-7,10,15,17H2,1H3

InChI Key

ZKQUPLZICBKUQD-UHFFFAOYSA-N

Formula

C24H28Cl2O4

SMILES

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

Molecular Weight¹

451.38

• 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	1.0994		Relay (1.0) Calculated Property
ΔfH°gas	-729.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	61.96	kJ/mol	Joback Calculated Property
ΔvapH°	125.91	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.89		Relay (1.0) Calculated Property
logPoct/wat	7.258		Crippen Calculated Property
McVol	340.860	ml/mol	McGowan Calculated Property
Pc	1134.43	kPa	Joback Calculated Property
Inp	[3118.00; 3118.00]
Inp	3118.00		NIST
Inp	3118.00		NIST
Tboil	704.59	K	Relay (1.0) Calculated Property
Tc	961.29	K	Relay (1.0) Calculated Property
Tfus	298.23	K	Relay (1.0) Calculated Property
Vc	1.250	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	[1046.77; 1093.66]	J/mol×K	[1008.32; 1238.60]
Cp,gas	1046.77	J/mol×K	1008.32	Joback Calculated Property
Cp,gas	1058.16	J/mol×K	1046.70	Joback Calculated Property
Cp,gas	1068.06	J/mol×K	1085.08	Joback Calculated Property
Cp,gas	1076.50	J/mol×K	1123.46	Joback Calculated Property
Cp,gas	1083.55	J/mol×K	1161.84	Joback Calculated Property
Cp,gas	1089.25	J/mol×K	1200.22	Joback Calculated Property
Cp,gas	1093.66	J/mol×K	1238.60	Joback Calculated Property
η	[0.0000178; 0.0002127]	Pa×s	[595.14; 1008.32]
η	0.0002127	Pa×s	595.14	Joback Calculated Property
η	0.0001135	Pa×s	664.00	Joback Calculated Property
η	0.0000681	Pa×s	732.87	Joback Calculated Property
η	0.0000447	Pa×s	801.73	Joback Calculated Property
η	0.0000313	Pa×s	870.59	Joback Calculated Property
η	0.0000231	Pa×s	939.46	Joback Calculated Property
η	0.0000178	Pa×s	1008.32	Joback Calculated Property

Similar Compounds

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

Sources

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

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