Chemical Properties of Propanoic acid, 2-dimethylamino-3-(4-methoxyphenyl), methyl ester

Propanoic acid, 2-dimethylamino-3-(4-methoxyphenyl), methyl ester

InChI
InChI=1S/C13H19NO3/c1-14(2)12(13(15)17-4)9-10-5-7-11(16-3)8-6-10/h5-8,12H,9H2,1-4H3
InChI Key
VIFCXBHBJYGIIQ-UHFFFAOYSA-N
Formula
C13H19NO3
SMILES
COC(=O)C(Cc1ccc(OC)cc1)N(C)C
Molecular Weight1
237.30
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Physical Properties

Property Value Unit Source
Δfgas -397.93 kJ/mol Relay (1.0) Calculated Property
Δfus 28.13 kJ/mol Joback Calculated Property
IE 7.66 eV Relay (1.0) Calculated Property
log10WS -1.40 Relay (1.0) Calculated Property
logPoct/wat 1.341 Crippen Calculated Property
McVol 193.560 ml/mol McGowan Calculated Property
Inp [1690.00; 1690.00]   Show Hide
Inp 1690.00 NIST
Inp 1690.00 NIST
Tboil 563.59 K Relay (1.0) Calculated Property
Tfus 305.76 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [502.35; 585.95] J/mol×K [621.34; 822.42] Show Hide
Cp,gas 502.35 J/mol×K 621.34 Joback Calculated Property
Cp,gas 518.60 J/mol×K 654.85 Joback Calculated Property
Cp,gas 533.90 J/mol×K 688.37 Joback Calculated Property
Cp,gas 548.27 J/mol×K 721.88 Joback Calculated Property
Cp,gas 561.73 J/mol×K 755.39 Joback Calculated Property
Cp,gas 574.28 J/mol×K 788.91 Joback Calculated Property
Cp,gas 585.95 J/mol×K 822.42 Joback Calculated Property

Similar Compounds

2-Amino-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester. 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester. L-phenylalanine, n-(p-anisoyl)-, methyl ester. L-Phenylalanine, N-(m-anisoyl)-, methyl ester. N-Methyl-3,4-dihydroxyphenylalanine, N-TFA-O-TMS. 2-([(Dimethylamino)methylene]amino)-3-(3-chloro-4-ethyloxy-phenyl)propanoic acid, ethyl ester. Lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. l-Tyrosine, N,O-bis(caproyl)-, methyl ester. L-Tyrosine, N,O-bis(capryloyl)-, methyl ester. N-methyl tyrosine. l-Tyrosine, N,O-bis(butyryl)-, methyl ester. l-Tyrosine, N,O-bis(4-fluorobenzoyl)-, methyl ester. L-Phenylalanine, N-(o-anisoyl)-, methyl ester. L-Tyrosine, N,O-bis(2-fluorobenzoyl)-, methyl ester. Serine-lysine-tyrosine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

Find more compounds similar to Propanoic acid, 2-dimethylamino-3-(4-methoxyphenyl), methyl ester.

Sources

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