Chemical Properties of Succinic acid, 1-(3-bromophenyl)ethyl propyl ester

InChI

InChI=1S/C15H19BrO4/c1-3-9-19-14(17)7-8-15(18)20-11(2)12-5-4-6-13(16)10-12/h4-6,10-11H,3,7-9H2,1-2H3

InChI Key

QNSMPPUTROLUKH-UHFFFAOYSA-N

Formula

C15H19BrO4

SMILES

CCCOC(=O)CCC(=O)OC(C)c1cccc(Br)c1

Molecular Weight¹

343.21

• 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	0.7299		Relay (1.0) Calculated Property
ΔfG°	-277.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-724.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.59	kJ/mol	Joback Calculated Property
ΔvapH°	90.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	3.787		Crippen Calculated Property
McVol	230.830	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[2136.00; 2136.00]
Inp	2136.00		NIST
Inp	2136.00		NIST
Tboil	599.97	K	Relay (1.0) Calculated Property
Tc	807.36	K	Relay (1.0) Calculated Property
Tfus	283.04	K	Relay (1.0) Calculated Property
Vc	0.831	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.74; 698.43]	J/mol×K	[792.56; 1009.47]
Cp,gas	632.74	J/mol×K	792.56	Joback Calculated Property
Cp,gas	646.15	J/mol×K	828.71	Joback Calculated Property
Cp,gas	658.55	J/mol×K	864.86	Joback Calculated Property
Cp,gas	669.96	J/mol×K	901.02	Joback Calculated Property
Cp,gas	680.39	J/mol×K	937.17	Joback Calculated Property
Cp,gas	689.87	J/mol×K	973.32	Joback Calculated Property
Cp,gas	698.43	J/mol×K	1009.47	Joback Calculated Property
η	[0.0000813; 0.0007265]	Pa×s	[486.87; 792.56]
η	0.0007265	Pa×s	486.87	Joback Calculated Property
η	0.0004243	Pa×s	537.82	Joback Calculated Property
η	0.0002720	Pa×s	588.77	Joback Calculated Property
η	0.0001871	Pa×s	639.71	Joback Calculated Property
η	0.0001361	Pa×s	690.66	Joback Calculated Property
η	0.0001033	Pa×s	741.61	Joback Calculated Property
η	0.0000813	Pa×s	792.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(3-bromophenyl)ethyl propyl ester.

Sources

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

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