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

InChI

InChI=1S/C19H27BrO4/c1-3-4-5-6-7-13-23-18(21)11-12-19(22)24-15(2)16-9-8-10-17(20)14-16/h8-10,14-15H,3-7,11-13H2,1-2H3

InChI Key

GCOMUWPXEHSMJE-UHFFFAOYSA-N

Formula

C19H27BrO4

SMILES

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

Molecular Weight¹

399.32

• 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°	49.12	kJ/mol	Joback Calculated Property
ΔvapH°	105.05	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.61		Relay (1.0) Calculated Property
logPoct/wat	5.347		Crippen Calculated Property
McVol	287.190	ml/mol	McGowan Calculated Property
Pc	1435.89	kPa	Joback Calculated Property
Inp	[2523.00; 2523.00]
Inp	2523.00		NIST
Inp	2523.00		NIST
Tboil	630.50	K	Relay (1.0) Calculated Property
Tc	847.97	K	Relay (1.0) Calculated Property
Tfus	278.28	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	[848.68; 918.63]	J/mol×K	[848.14; 1055.69]
Cp,gas	848.68	J/mol×K	848.14	Joback Calculated Property
Cp,gas	863.23	J/mol×K	882.73	Joback Calculated Property
Cp,gas	876.58	J/mol×K	917.32	Joback Calculated Property
Cp,gas	888.76	J/mol×K	951.92	Joback Calculated Property
Cp,gas	899.81	J/mol×K	986.51	Joback Calculated Property
Cp,gas	909.76	J/mol×K	1021.10	Joback Calculated Property
Cp,gas	918.63	J/mol×K	1055.69	Joback Calculated Property
η	[0.0000352; 0.0006973]	Pa×s	[472.29; 848.14]
η	0.0006973	Pa×s	472.29	Joback Calculated Property
η	0.0003167	Pa×s	534.93	Joback Calculated Property
η	0.0001697	Pa×s	597.57	Joback Calculated Property
η	0.0001024	Pa×s	660.21	Joback Calculated Property
η	0.0000674	Pa×s	722.86	Joback Calculated Property
η	0.0000474	Pa×s	785.50	Joback Calculated Property
η	0.0000352	Pa×s	848.14	Joback Calculated Property

Similar Compounds

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