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

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

InChI
InChI=1S/C17H19NO6/c1-3-6-14(4-2)23-16(19)7-5-8-17(20)24-15-11-9-13(10-12-15)18(21)22/h9-12,14H,4-5,7-8H2,1-2H3
InChI Key
PWZDBBCJLPUDEZ-UHFFFAOYSA-N
Formula
C17H19NO6
SMILES
CC#CC(CC)OC(=O)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1
Molecular Weight1
333.34
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 53.14 kJ/mol Joback Calculated Property
IE 8.99 eV Relay (1.0) Calculated Property
logPoct/wat 3.016 Crippen Calculated Property
McVol 250.330 ml/mol McGowan Calculated Property
Inp [2548.00; 2548.00]   Show Hide
Inp 2548.00 NIST
Inp 2548.00 NIST
Tboil 633.59 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, 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 [749.01; 798.67] J/mol×K [897.06; 1132.43] Show Hide
Cp,gas 749.01 J/mol×K 897.06 Joback Calculated Property
Cp,gas 760.68 J/mol×K 936.29 Joback Calculated Property
Cp,gas 770.96 J/mol×K 975.52 Joback Calculated Property
Cp,gas 779.86 J/mol×K 1014.74 Joback Calculated Property
Cp,gas 787.43 J/mol×K 1053.97 Joback Calculated Property
Cp,gas 793.69 J/mol×K 1093.20 Joback Calculated Property
Cp,gas 798.67 J/mol×K 1132.43 Joback Calculated Property

Similar Compounds

Succinic acid, hex-4-yn-3-yl 3-nitrophenyl ester. Glutaric acid, but-3-yn-2-yl 4-nitrophenyl ester. Glutaric acid, 3-methylbut-2-yl 4-nitrophenyl ester. Glutaric acid, 2-methylpent-3-yl 4-nitrophenyl ester. Glutaric acid, hept-2-yl 4-nitrophenyl ester. Glutaric acid, dec-2-yl 4-nitrophenyl ester. Glutaric acid, hex-4-yn-3-yl 4-bromophenyl ester. Glutaric acid, hex-4-yn-3-yl 3-fluorophenyl ester. Glutaric acid, hex-4-yn-3-yl 1-naphthyl ester. Glutaric acid, hex-4-yn-3-yl 4-biphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-nitrophenyl ester. Glutaric acid, hex-4-yn-3-yl 3-methylphenyl ester. Glutaric acid, hex-4-yn-3-yl 2-methoxyphenyl ester. Glutaric acid, 4-nitrophenyl propyl ester. Glutaric acid, hex-4-yn-3-yl 4-bromo-2-methoxyphenyl ester.

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

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.