Chemical Properties of 4-Bromobutyric acid, 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C10H7BrCl4O2/c11-3-1-2-7(16)17-10-6(13)4-5(12)8(14)9(10)15/h4H,1-3H2

InChI Key

YTEKABDCGWBMNM-UHFFFAOYSA-N

Formula

C10H7BrCl4O2

SMILES

O=C(CCCBr)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

380.88

• 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	0.7575		Relay (1.0) Calculated Property
ΔfG°	-160.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-368.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.00	kJ/mol	Joback Calculated Property
ΔvapH°	90.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-5.85		Relay (1.0) Calculated Property
logPoct/wat	5.381		Crippen Calculated Property
McVol	201.900	ml/mol	McGowan Calculated Property
Pc	2657.03	kPa	Joback Calculated Property
Inp	[2284.00; 2284.00]
Inp	2284.00		NIST
Inp	2284.00		NIST
Tboil	598.76	K	Relay (1.0) Calculated Property
Tc	880.46	K	Relay (1.0) Calculated Property
Tfus	345.19	K	Relay (1.0) Calculated Property
Vc	0.703	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[416.11; 455.12]	J/mol×K	[766.97; 1007.70]
Cp,gas	416.11	J/mol×K	766.97	Joback Calculated Property
Cp,gas	424.25	J/mol×K	807.09	Joback Calculated Property
Cp,gas	431.71	J/mol×K	847.21	Joback Calculated Property
Cp,gas	438.51	J/mol×K	887.33	Joback Calculated Property
Cp,gas	444.67	J/mol×K	927.46	Joback Calculated Property
Cp,gas	450.20	J/mol×K	967.58	Joback Calculated Property
Cp,gas	455.12	J/mol×K	1007.70	Joback Calculated Property
η	[0.0001399; 0.0005699]	Pa×s	[530.60; 766.97]
η	0.0005699	Pa×s	530.60	Joback Calculated Property
η	0.0004159	Pa×s	570.00	Joback Calculated Property
η	0.0003161	Pa×s	609.39	Joback Calculated Property
η	0.0002484	Pa×s	648.79	Joback Calculated Property
η	0.0002007	Pa×s	688.18	Joback Calculated Property
η	0.0001659	Pa×s	727.58	Joback Calculated Property
η	0.0001399	Pa×s	766.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromobutyric acid, 2,3,4,6-tetrachlorophenyl ester.

Sources

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

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