Chemical Properties of Phthalic acid, isobutyl 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C18H15Cl3O4/c1-10(2)9-24-17(22)11-5-3-4-6-12(11)18(23)25-16-8-14(20)13(19)7-15(16)21/h3-8,10H,9H2,1-2H3

InChI Key

KYVFGNDKBKJZIY-UHFFFAOYSA-N

Formula

C18H15Cl3O4

SMILES

CC(C)COC(=O)c1ccccc1C(=O)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

401.67

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• IE : Ionization energy (eV).
• 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	0.8771		Relay (1.0) Calculated Property
ΔfG°	-219.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-637.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.54	kJ/mol	Joback Calculated Property
ΔvapH°	106.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-6.69		Relay (1.0) Calculated Property
logPoct/wat	5.679		Crippen Calculated Property
McVol	268.560	ml/mol	McGowan Calculated Property
Pc	1803.09	kPa	Joback Calculated Property
Inp	[2685.00; 2685.00]
Inp	2685.00		NIST
Inp	2685.00		NIST
Tboil	653.24	K	Relay (1.0) Calculated Property
Tc	947.21	K	Relay (1.0) Calculated Property
Tfus	343.83	K	Relay (1.0) Calculated Property
Vc	0.965	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[727.27; 765.69]	J/mol×K	[948.95; 1191.57]
Cp,gas	727.27	J/mol×K	948.95	Joback Calculated Property
Cp,gas	736.84	J/mol×K	989.39	Joback Calculated Property
Cp,gas	745.12	J/mol×K	1029.82	Joback Calculated Property
Cp,gas	752.13	J/mol×K	1070.26	Joback Calculated Property
Cp,gas	757.88	J/mol×K	1110.70	Joback Calculated Property
Cp,gas	762.39	J/mol×K	1151.13	Joback Calculated Property
Cp,gas	765.69	J/mol×K	1191.57	Joback Calculated Property
η	[0.0000461; 0.0002812]	Pa×s	[614.62; 948.95]
η	0.0002812	Pa×s	614.62	Joback Calculated Property
η	0.0001835	Pa×s	670.34	Joback Calculated Property
η	0.0001279	Pa×s	726.06	Joback Calculated Property
η	0.0000938	Pa×s	781.79	Joback Calculated Property
η	0.0000717	Pa×s	837.51	Joback Calculated Property
η	0.0000567	Pa×s	893.23	Joback Calculated Property
η	0.0000461	Pa×s	948.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, isobutyl 2,4,5-trichlorophenyl ester.

Sources

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

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