Chemical Properties of Isovaleric acid, 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C11H11Cl3O2/c1-6(2)3-11(15)16-10-5-8(13)7(12)4-9(10)14/h4-6H,3H2,1-2H3

InChI Key

JAPFIXZLXNGZGL-UHFFFAOYSA-N

Formula

C11H11Cl3O2

SMILES

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

Molecular Weight¹

281.56

• 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	0.6293		Relay (1.0) Calculated Property
ΔfG°	-146.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-437.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.98	kJ/mol	Joback Calculated Property
ΔvapH°	77.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-5.12		Relay (1.0) Calculated Property
logPoct/wat	4.598		Crippen Calculated Property
McVol	186.250	ml/mol	McGowan Calculated Property
Pc	2391.19	kPa	Joback Calculated Property
Inp	[1778.00; 1778.00]
Inp	1778.00		NIST
Inp	1778.00		NIST
Tboil	531.99	K	Relay (1.0) Calculated Property
Tc	806.50	K	Relay (1.0) Calculated Property
Tfus	325.28	K	Relay (1.0) Calculated Property
Vc	0.669	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[419.54; 476.48]	J/mol×K	[680.84; 908.18]
Cp,gas	419.54	J/mol×K	680.84	Joback Calculated Property
Cp,gas	430.91	J/mol×K	718.73	Joback Calculated Property
Cp,gas	441.52	J/mol×K	756.62	Joback Calculated Property
Cp,gas	451.37	J/mol×K	794.51	Joback Calculated Property
Cp,gas	460.48	J/mol×K	832.40	Joback Calculated Property
Cp,gas	468.84	J/mol×K	870.29	Joback Calculated Property
Cp,gas	476.48	J/mol×K	908.18	Joback Calculated Property
η	[0.0001517; 0.0010158]	Pa×s	[424.63; 680.84]
η	0.0010158	Pa×s	424.63	Joback Calculated Property
η	0.0006401	Pa×s	467.33	Joback Calculated Property
η	0.0004358	Pa×s	510.03	Joback Calculated Property
η	0.0003149	Pa×s	552.74	Joback Calculated Property
η	0.0002384	Pa×s	595.44	Joback Calculated Property
η	0.0001873	Pa×s	638.14	Joback Calculated Property
η	0.0001517	Pa×s	680.84	Joback Calculated Property

Similar Compounds

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

Sources

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

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