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

InChI

InChI=1S/C27H43BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-31-26(29)18-15-19-27(30)32-22-20-24-16-14-17-25(28)23-24/h14,16-17,23H,2-13,15,18-22H2,1H3

InChI Key

QVFDHDLPSXCZGH-UHFFFAOYSA-N

Formula

C27H43BrO4

SMILES

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

Molecular Weight¹

511.53

• 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	1.2437		Relay (1.0) Calculated Property
ΔfG°	-174.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-969.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	70.20	kJ/mol	Joback Calculated Property
ΔvapH°	135.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-7.86		Relay (1.0) Calculated Property
logPoct/wat	7.949		Crippen Calculated Property
McVol	399.910	ml/mol	McGowan Calculated Property
Pc	900.18	kPa	Joback Calculated Property
Inp	[3543.00; 3543.00]
Inp	3543.00		NIST
Inp	3543.00		NIST
Tboil	723.82	K	Relay (1.0) Calculated Property
Tc	904.02	K	Relay (1.0) Calculated Property
Tfus	302.33	K	Relay (1.0) Calculated Property
Vc	1.489	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1345.75; 1420.49]	J/mol×K	[1067.56; 1312.05]
Cp,gas	1345.75	J/mol×K	1067.56	Joback Calculated Property
Cp,gas	1362.06	J/mol×K	1108.31	Joback Calculated Property
Cp,gas	1376.71	J/mol×K	1149.06	Joback Calculated Property
Cp,gas	1389.79	J/mol×K	1189.80	Joback Calculated Property
Cp,gas	1401.38	J/mol×K	1230.55	Joback Calculated Property
Cp,gas	1411.59	J/mol×K	1271.30	Joback Calculated Property
Cp,gas	1420.49	J/mol×K	1312.05	Joback Calculated Property
η	[0.0000144; 0.0001655]	Pa×s	[637.11; 1067.56]
η	0.0001655	Pa×s	637.11	Joback Calculated Property
η	0.0000897	Pa×s	708.85	Joback Calculated Property
η	0.0000544	Pa×s	780.59	Joback Calculated Property
η	0.0000359	Pa×s	852.34	Joback Calculated Property
η	0.0000253	Pa×s	924.08	Joback Calculated Property
η	0.0000187	Pa×s	995.82	Joback Calculated Property
η	0.0000144	Pa×s	1067.56	Joback Calculated Property

Similar Compounds

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

Sources

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

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