Chemical Properties of (-)-Jasmonic acid, - (S)-Phe conjugate, methyl ester

(-)-Jasmonic acid, - (S)-Phe conjugate, methyl ester

InChI
InChI=1S/C22H29NO4/c1-3-4-6-11-18-17(12-13-20(18)24)15-21(25)23-19(22(26)27-2)14-16-9-7-5-8-10-16/h4-10,17-19H,3,11-15H2,1-2H3,(H,23,25)/b6-4-/t17-,18-,19?/m1/s1
InChI Key
JFDVKJZZXXFJEY-DYCGSOJJSA-N
Formula
C22H29NO4
SMILES
CCC=CCC1C(=O)CCC1CC(=O)NC(Cc1ccccc1)C(=O)OC
Molecular Weight1
371.47
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° 49.04 kJ/mol Joback Calculated Property
logPoct/wat 3.229 Crippen Calculated Property
McVol 302.480 ml/mol McGowan Calculated Property
Inp [2716.00; 2722.00]   Show Hide
Inp 2716.00 NIST
Inp 2722.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 [1019.17; 1080.51] J/mol×K [974.05; 1205.22] Show Hide
Cp,gas 1019.17 J/mol×K 974.05 Joback Calculated Property
Cp,gas 1033.29 J/mol×K 1012.58 Joback Calculated Property
Cp,gas 1045.78 J/mol×K 1051.11 Joback Calculated Property
Cp,gas 1056.69 J/mol×K 1089.63 Joback Calculated Property
Cp,gas 1066.08 J/mol×K 1128.16 Joback Calculated Property
Cp,gas 1074.00 J/mol×K 1166.69 Joback Calculated Property
Cp,gas 1080.51 J/mol×K 1205.22 Joback Calculated Property

Similar Compounds

Thymidine, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-TMS, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 5'-O-cyclotetramethylene-isopropylsilyl. Uridine, 2',5'-bis-O-TBDMS, 3'-O-TFA. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-cyclotetramethylene-isopropylsilyl. norbormide. Thymidine, 3',5'-bis(O-TMTBSi). Quinine, trimethylsilyl ether. Uridine, 2'-O-TBDMS, 3',5'-bis-O-TFA. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-cyclotetramethylene-tertbutylsilyl. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-isopropylsilyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-TBDMS. inosine-5'-monophosphate, TMS. xanthosine-5'-monophosphate, TMS. Thymidine, 3'-O-TBDMS, 5'-O-cyclotetramethylene-tertbutylsilyl.

Find more compounds similar to (-)-Jasmonic acid, - (S)-Phe conjugate, methyl 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.