Chemical Properties of Succinic acid, hex-4-yn-3-yl 3-nitrophenyl ester

Succinic acid, hex-4-yn-3-yl 3-nitrophenyl ester

InChI
InChI=1S/C16H17NO6/c1-3-6-13(4-2)22-15(18)9-10-16(19)23-14-8-5-7-12(11-14)17(20)21/h5,7-8,11,13H,4,9-10H2,1-2H3
InChI Key
BDCGPQGBSSSLQB-UHFFFAOYSA-N
Formula
C16H17NO6
SMILES
CC#CC(CC)OC(=O)CCC(=O)Oc1cccc([N+](=O)[O-])c1
Molecular Weight1
319.31
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Physical Properties

Property Value Unit Source
ΔfusH° 47.38 kJ/mol Joback Calculated Property
IE 9.16 eV Relay (1.0) Calculated Property
logPoct/wat 2.626 Crippen Calculated Property
McVol 236.240 ml/mol McGowan Calculated Property
Inp [2474.00; 2474.00]   Show Hide
Inp 2474.00 NIST
Inp 2474.00 NIST
Tboil 619.10 K Relay (1.0) Calculated Property
Tfus 351.79 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [700.22; 749.68] J/mol×K [910.12; 1151.47] Show Hide
Cp,gas 700.22 J/mol×K 910.12 Joback Calculated Property
Cp,gas 711.61 J/mol×K 950.34 Joback Calculated Property
Cp,gas 721.72 J/mol×K 990.57 Joback Calculated Property
Cp,gas 730.56 J/mol×K 1030.79 Joback Calculated Property
Cp,gas 738.15 J/mol×K 1071.02 Joback Calculated Property
Cp,gas 744.52 J/mol×K 1111.24 Joback Calculated Property
Cp,gas 749.68 J/mol×K 1151.47 Joback Calculated Property

Similar Compounds

Glutaric acid, hex-4-yn-3-yl 4-nitrophenyl ester. Succinic acid, 3-methylbut-2-yl 3-nitrophenyl ester. Succinic acid, 2-methylpent-3-yl 3-nitrophenyl ester. Succinic acid, dec-2-yl 3-nitrophenyl ester. Succinic acid, hept-2-yl 3-nitrophenyl ester. Pimelic acid, 4-methyl-2-pentyl 3-nitrophenyl ester. Succinic acid, hex-4-yn-3-yl 2-naphthyl ester. Succinic acid, 2-ethylhexyl 3-nitrophenyl ester. Succinic acid, cyclohexylmethyl 3-nitrophenyl ester. Succinic acid, hex-4-yn-3-yl 3-fluorophenyl ester. Succinic acid, hex-4-yn-3-yl 2-fluorophenyl ester. Glutaric acid, 3-nitrophenyl propyl ester. Glutaric acid, isohexyl 3-nitrophenyl ester. Succinic acid, hex-4-yn-3-yl 3-methoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 4-bromophenyl ester.

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

Sources

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