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

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

InChI
InChI=1S/C17H20O5/c1-4-7-13(5-2)21-16(18)10-11-17(19)22-15-9-6-8-14(12-15)20-3/h6,8-9,12-13H,5,10-11H2,1-3H3
InChI Key
SXQSFMIWZUHTOM-UHFFFAOYSA-N
Formula
C17H20O5
SMILES
CC#CC(CC)OC(=O)CCC(=O)Oc1cccc(OC)c1
Molecular Weight1
304.34
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° 42.96 kJ/mol Joback Calculated Property
IE 8.27 eV Relay (1.0) Calculated Property
logPoct/wat 2.726 Crippen Calculated Property
McVol 238.780 ml/mol McGowan Calculated Property
Inp [2283.00; 2283.00]   Show Hide
Inp 2283.00 NIST
Inp 2283.00 NIST
Tboil 617.17 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [342.28; 748.94] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A6.00230e+01
Coefficient B1.16376e+00
Coefficient C-4.76020e-04
Coefficient D1.18000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 342.28 J/mol×K 273.00 Calculated Property
Cp,gas 412.21 J/mol×K 353.78 Calculated Property
Cp,gas 475.95 J/mol×K 434.56 Calculated Property
Cp,gas 533.49 J/mol×K 515.33 Calculated Property
Cp,gas 584.85 J/mol×K 596.11 Calculated Property
Cp,gas 630.02 J/mol×K 676.89 Calculated Property
Cp,gas 669.01 J/mol×K 757.67 Calculated Property
Cp,gas 701.83 J/mol×K 838.44 Calculated Property
Cp,gas 728.47 J/mol×K 919.22 Calculated Property
Cp,gas 748.94 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, hex-4-yn-3-yl 2-naphthyl ester. Succinic acid, hex-4-yn-3-yl 4-bromophenyl ester. Succinic acid, hex-4-yn-3-yl 3-fluorophenyl ester. Succinic acid, hex-4-yn-3-yl 4-bromo-2-methoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 2-isopropoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 2-fluorophenyl ester. Glutaric acid, hex-4-yn-3-yl 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-biphenyl ester. Glutaric acid, hex-4-yn-3-yl 2,6-dimethoxyphenyl ester. Succinic acid, hex-4-yn-3-yl 3,5-dichlorophenyl ester. Succinic acid, hex-4-yn-3-yl 2-methoxy-5-methylphenyl ester. Glutaric acid, hex-4-yn-3-yl 4-bromophenyl ester. Succinic acid, hex-4-yn-3-yl 2,3,4-trifluorophenyl ester.

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