Chemical Properties of Succinic acid, hex-4-yn-3-yl 4-bromo-2-methoxyphenyl ester

Succinic acid, hex-4-yn-3-yl 4-bromo-2-methoxyphenyl ester

InChI
InChI=1S/C17H19BrO5/c1-4-6-13(5-2)22-16(19)9-10-17(20)23-14-8-7-12(18)11-15(14)21-3/h7-8,11,13H,5,9-10H2,1-3H3
InChI Key
LKGHZLZOHAVYIW-UHFFFAOYSA-N
Formula
C17H19BrO5
SMILES
CC#CC(CC)OC(=O)CCC(=O)Oc1ccc(Br)cc1OC
Molecular Weight1
383.24
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Physical Properties

Property Value Unit Source
ΔfusH° 47.86 kJ/mol Joback Calculated Property
logPoct/wat 3.488 Crippen Calculated Property
McVol 256.280 ml/mol McGowan Calculated Property
Inp [2527.00; 2527.00]   Show Hide
Inp 2527.00 NIST
Inp 2527.00 NIST
Tboil 636.03 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, 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 [708.94; 766.80] J/mol×K [838.78; 1064.25] Show Hide
Cp,gas 708.94 J/mol×K 838.78 Joback Calculated Property
Cp,gas 721.77 J/mol×K 876.36 Joback Calculated Property
Cp,gas 733.32 J/mol×K 913.94 Joback Calculated Property
Cp,gas 743.60 J/mol×K 951.51 Joback Calculated Property
Cp,gas 752.60 J/mol×K 989.09 Joback Calculated Property
Cp,gas 760.33 J/mol×K 1026.67 Joback Calculated Property
Cp,gas 766.80 J/mol×K 1064.25 Joback Calculated Property

Similar Compounds

Glutaric acid, hex-4-yn-3-yl 4-bromo-2-methoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 4-chloro-2-methoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 4-fluoro-2-methoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 4-bromophenyl ester. Succinic acid, hex-4-yn-3-yl 2-isopropoxyphenyl ester. Glutaric acid, hex-4-yn-3-yl 2-methoxyphenyl ester. Succinic acid, 2-methylpent-3-yl 4-bromo-2-methoxyphenyl ester. Succinic acid, hept-2-yl 4-bromo-2-methoxyphenyl ester. Glutaric acid, but-3-yn-2-yl 4-bromo-2-methoxyphenyl ester. Succinic acid, 3-methylbut-2-yl 4-bromo-2-methoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 2-methoxy-5-methylphenyl ester. Glutaric acid, hex-4-yn-3-yl 4-chloro-2-methoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 3-methoxyphenyl ester. Glutaric acid, hex-4-yn-3-yl 4-fluoro-2-methoxyphenyl ester. Glutaric acid, hex-4-yn-3-yl 2,6-dimethoxyphenyl ester.

Find more compounds similar to Succinic acid, hex-4-yn-3-yl 4-bromo-2-methoxyphenyl ester.

Sources

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