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

InChI

InChI=1S/C21H31BrO4/c1-3-4-5-6-7-8-9-15-25-20(23)13-14-21(24)26-17(2)18-11-10-12-19(22)16-18/h10-12,16-17H,3-9,13-15H2,1-2H3

InChI Key

XOBKVZHQVXXWLF-UHFFFAOYSA-N

Formula

C21H31BrO4

SMILES

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

Molecular Weight¹

427.37

• 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°	54.30	kJ/mol	Joback Calculated Property
ΔvapH°	112.52	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.22		Relay (1.0) Calculated Property
logPoct/wat	6.127		Crippen Calculated Property
McVol	315.370	ml/mol	McGowan Calculated Property
Pc	1247.73	kPa	Joback Calculated Property
Inp	[2730.00; 2730.00]
Inp	2730.00		NIST
Inp	2730.00		NIST
Tboil	644.78	K	Relay (1.0) Calculated Property
Tc	863.14	K	Relay (1.0) Calculated Property
Tfus	283.36	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	[965.76; 1036.33]	J/mol×K	[893.90; 1102.60]
Cp,gas	965.76	J/mol×K	893.90	Joback Calculated Property
Cp,gas	980.57	J/mol×K	928.68	Joback Calculated Property
Cp,gas	994.11	J/mol×K	963.47	Joback Calculated Property
Cp,gas	1006.41	J/mol×K	998.25	Joback Calculated Property
Cp,gas	1017.53	J/mol×K	1033.03	Joback Calculated Property
Cp,gas	1027.49	J/mol×K	1067.81	Joback Calculated Property
Cp,gas	1036.33	J/mol×K	1102.60	Joback Calculated Property
η	[0.0000257; 0.0005395]	Pa×s	[494.83; 893.90]
η	0.0005395	Pa×s	494.83	Joback Calculated Property
η	0.0002406	Pa×s	561.34	Joback Calculated Property
η	0.0001273	Pa×s	627.85	Joback Calculated Property
η	0.0000761	Pa×s	694.36	Joback Calculated Property
η	0.0000498	Pa×s	760.88	Joback Calculated Property
η	0.0000349	Pa×s	827.39	Joback Calculated Property
η	0.0000257	Pa×s	893.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(3-bromophenyl)ethyl nonyl 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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