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

Succinic acid, 1-(3-bromophenyl)ethyl isobutyl ester

InChI
InChI=1S/C16H21BrO4/c1-11(2)10-20-15(18)7-8-16(19)21-12(3)13-5-4-6-14(17)9-13/h4-6,9,11-12H,7-8,10H2,1-3H3
InChI Key
MESKTCWPUMUKRV-UHFFFAOYSA-N
Formula
C16H21BrO4
SMILES
CC(C)COC(=O)CCC(=O)OC(C)c1cccc(Br)c1
Molecular Weight1
357.24
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Physical Properties

Property Value Unit Source
ΔfusH° 37.82 kJ/mol Joback Calculated Property
logPoct/wat 4.033 Crippen Calculated Property
McVol 244.920 ml/mol McGowan Calculated Property
Pc 1821.61 kPa Joback Calculated Property
Inp [2184.00; 2184.00]   Show Hide
Inp 2184.00 NIST
Inp 2184.00 NIST
Tboil 603.74 K Relay (1.0) Calculated Property
Tc 816.97 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [679.51; 748.02] J/mol×K [779.06; 993.09] Show Hide
Cp,gas 679.51 J/mol×K 779.06 Joback Calculated Property
Cp,gas 693.75 J/mol×K 814.73 Joback Calculated Property
Cp,gas 706.83 J/mol×K 850.40 Joback Calculated Property
Cp,gas 718.77 J/mol×K 886.08 Joback Calculated Property
Cp,gas 729.60 J/mol×K 921.75 Joback Calculated Property
Cp,gas 739.34 J/mol×K 957.42 Joback Calculated Property
Cp,gas 748.02 J/mol×K 993.09 Joback Calculated Property
η [0.0000509; 0.0012097] Pa×s [423.48; 779.06] Show Hide
η 0.0012097 Pa×s 423.48 Joback Calculated Property
η 0.0005160 Pa×s 482.74 Joback Calculated Property
η 0.0002652 Pa×s 542.01 Joback Calculated Property
η 0.0001554 Pa×s 601.27 Joback Calculated Property
η 0.0001002 Pa×s 660.53 Joback Calculated Property
η 0.0000695 Pa×s 719.80 Joback Calculated Property
η 0.0000509 Pa×s 779.06 Joback Calculated Property

Similar Compounds

Succinic acid, 1-(3-bromophenyl)ethyl propyl ester. Succinic acid, 1-(3-bromophenyl)ethyl butyl ester. Succinic acid, 1-(3-bromophenyl)ethyl ethyl ester. Succinic acid, di(1-(3-bromophenyl)ethyl) ester. Succinic acid, 1-(3-bromophenyl)ethyl pentyl ester. Succinic acid, 1-(3-bromophenyl)ethyl hexyl ester. Succinic acid, 1-(3-bromophenyl)ethyl heptyl ester. Succinic acid, 1-(3-bromophenyl)ethyl nonyl ester. Succinic acid, 1-(3-bromophenyl)ethyl octyl ester. Succinic acid, 1-(3-bromophenyl)ethyl 2-methylhex-3-yl ester. Succinic acid, 1-(2-fluorophenyl)ethyl isobutyl ester. Glutaric acid, isobutyl 1-phenylethyl ester. Glutaric acid, isobutyl 1-phenylpropyl ester. Succinic acid, 2,2,3,3-tetrafluoropropyl 1-phenylpropyl ester. Sebacic acid, 1-(4-fluorophenyl)ethyl isobutyl ester.

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

Sources

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