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

InChI

InChI=1S/C18H25BrO4/c1-3-4-5-6-12-22-17(20)10-11-18(21)23-14(2)15-8-7-9-16(19)13-15/h7-9,13-14H,3-6,10-12H2,1-2H3

InChI Key

FWYGWVQJCZZGHF-UHFFFAOYSA-N

Formula

C18H25BrO4

SMILES

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

Molecular Weight¹

385.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.53	kJ/mol	Joback Calculated Property
ΔvapH°	101.91	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.25		Relay (1.0) Calculated Property
logPoct/wat	4.957		Crippen Calculated Property
McVol	273.100	ml/mol	McGowan Calculated Property
Pc	1546.35	kPa	Joback Calculated Property
Inp	[2421.00; 2421.00]
Inp	2421.00		NIST
Inp	2421.00		NIST
Tboil	622.79	K	Relay (1.0) Calculated Property
Tc	839.72	K	Relay (1.0) Calculated Property
Tfus	274.99	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[791.25; 860.71]	J/mol×K	[825.26; 1033.30]
Cp,gas	791.25	J/mol×K	825.26	Joback Calculated Property
Cp,gas	805.66	J/mol×K	859.93	Joback Calculated Property
Cp,gas	818.89	J/mol×K	894.61	Joback Calculated Property
Cp,gas	830.98	J/mol×K	929.28	Joback Calculated Property
Cp,gas	841.96	J/mol×K	963.96	Joback Calculated Property
Cp,gas	851.86	J/mol×K	998.63	Joback Calculated Property
Cp,gas	860.71	J/mol×K	1033.30	Joback Calculated Property
η	[0.0000410; 0.0007892]	Pa×s	[461.02; 825.26]
η	0.0007892	Pa×s	461.02	Joback Calculated Property
η	0.0003619	Pa×s	521.73	Joback Calculated Property
η	0.0001952	Pa×s	582.43	Joback Calculated Property
η	0.0001183	Pa×s	643.14	Joback Calculated Property
η	0.0000782	Pa×s	703.85	Joback Calculated Property
η	0.0000552	Pa×s	764.55	Joback Calculated Property
η	0.0000410	Pa×s	825.26	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.
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