Chemical Properties of Glutaric acid, 2-(4-bromophenyl)ethyl 2-methylhex-3-yl ester

InChI

InChI=1S/C20H29BrO4/c1-4-6-18(15(2)3)25-20(23)8-5-7-19(22)24-14-13-16-9-11-17(21)12-10-16/h9-12,15,18H,4-8,13-14H2,1-3H3

InChI Key

HVPLQJZZZQMURK-UHFFFAOYSA-N

Formula

C20H29BrO4

SMILES

CCCC(OC(=O)CCCC(=O)OCCc1ccc(Br)cc1)C(C)C

Molecular Weight¹

413.35

• 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).
• 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
ΔfG°	-238.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-704.90	kJ/mol	Joback Calculated Property
ΔfusH°	45.02	kJ/mol	Joback Calculated Property
ΔvapH°	87.02	kJ/mol	Joback Calculated Property
log10WS	-6.06		Crippen Calculated Property
logPoct/wat	5.073		Crippen Calculated Property
McVol	301.280	ml/mol	McGowan Calculated Property
Pc	1429.38	kPa	Joback Calculated Property
Inp	[2710.00; 2710.00]
Inp	2710.00		NIST
Inp	2710.00		NIST
Tboil	906.52	K	Joback Calculated Property
Tc	1121.15	K	Joback Calculated Property
Tfus	528.22	K	Joback Calculated Property
Vc	1.145	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[919.14; 989.37]	J/mol×K	[906.52; 1121.15]
Cp,gas	919.14	J/mol×K	906.52	Joback Calculated Property
Cp,gas	933.74	J/mol×K	942.29	Joback Calculated Property
Cp,gas	947.14	J/mol×K	978.06	Joback Calculated Property
Cp,gas	959.36	J/mol×K	1013.84	Joback Calculated Property
Cp,gas	970.45	J/mol×K	1049.61	Joback Calculated Property
Cp,gas	980.44	J/mol×K	1085.38	Joback Calculated Property
Cp,gas	989.37	J/mol×K	1121.15	Joback Calculated Property
η	[0.0000358; 0.0004752]	Pa×s	[528.22; 906.52]
η	0.0004752	Pa×s	528.22	Joback Calculated Property
η	0.0002454	Pa×s	591.27	Joback Calculated Property
η	0.0001440	Pa×s	654.32	Joback Calculated Property
η	0.0000928	Pa×s	717.37	Joback Calculated Property
η	0.0000642	Pa×s	780.42	Joback Calculated Property
η	0.0000469	Pa×s	843.47	Joback Calculated Property
η	0.0000358	Pa×s	906.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(4-bromophenyl)ethyl 2-methylhex-3-yl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.