Chemical Properties of Glutaric acid, 2-(3-bromophenyl)ethyl butyl ester

InChI

InChI=1S/C17H23BrO4/c1-2-3-11-21-16(19)8-5-9-17(20)22-12-10-14-6-4-7-15(18)13-14/h4,6-7,13H,2-3,5,8-12H2,1H3

InChI Key

SWHNXPQDJSJNOI-UHFFFAOYSA-N

Formula

C17H23BrO4

SMILES

CCCCOC(=O)CCCC(=O)OCCc1cccc(Br)c1

Molecular Weight¹

371.27

• 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	0.8759		Relay (1.0) Calculated Property
ΔfG°	-258.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-756.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.30	kJ/mol	Joback Calculated Property
ΔvapH°	100.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	4.048		Crippen Calculated Property
McVol	259.010	ml/mol	McGowan Calculated Property
Pc	1775.84	kPa	Joback Calculated Property
Inp	[2493.00; 2493.00]
Inp	2493.00		NIST
Inp	2493.00		NIST
Tboil	655.25	K	Relay (1.0) Calculated Property
Tc	834.15	K	Relay (1.0) Calculated Property
Tfus	267.35	K	Relay (1.0) Calculated Property
Vc	0.946	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[744.01; 811.68]	J/mol×K	[838.76; 1049.57]
Cp,gas	744.01	J/mol×K	838.76	Joback Calculated Property
Cp,gas	757.80	J/mol×K	873.90	Joback Calculated Property
Cp,gas	770.55	J/mol×K	909.03	Joback Calculated Property
Cp,gas	782.28	J/mol×K	944.17	Joback Calculated Property
Cp,gas	793.04	J/mol×K	979.30	Joback Calculated Property
Cp,gas	802.83	J/mol×K	1014.44	Joback Calculated Property
Cp,gas	811.68	J/mol×K	1049.57	Joback Calculated Property
η	[0.0000667; 0.0005356]	Pa×s	[524.41; 838.76]
η	0.0005356	Pa×s	524.41	Joback Calculated Property
η	0.0003233	Pa×s	576.80	Joback Calculated Property
η	0.0002123	Pa×s	629.19	Joback Calculated Property
η	0.0001487	Pa×s	681.59	Joback Calculated Property
η	0.0001096	Pa×s	733.98	Joback Calculated Property
η	0.0000841	Pa×s	786.37	Joback Calculated Property
η	0.0000667	Pa×s	838.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(3-bromophenyl)ethyl butyl ester.

Sources

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

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