Chemical Properties of Methylphenidate (CAS 113-45-1)

Methylphenidate

InChI
InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3
InChI Key
DUGOZIWVEXMGBE-UHFFFAOYSA-N
Formula
C14H19NO2
SMILES
COC(=O)C(c1ccccc1)C1CCCCN1
Molecular Weight1
233.31
CAS
113-45-1
Other Names
  • 2-Piperidineacetic acid, «alpha»-phenyl-, methyl ester
  • 4311/b Ciba
  • Calocain
  • Centedein
  • Centredin
  • Concerta
  • Meridil
  • Methyl phenidyl acetate
  • Methyl phenyl(2-piperidinyl)acetate
  • Methyl «alpha»-phenyl-2-piperidine-acetate
  • Methyl «alpha»-phenyl-«alpha»-(2-piperidyl)acetate
  • Methyl «alpha»-phenyl-«alpha»-2-piperidinylacetate
  • Methylphenidan
  • NCI-C56280
  • Phenidylate
  • Plimasine
  • Ritalin
  • Ritaline
  • Ritcher works
  • Rubifen
  • «alpha»-Phenyl-2-piperidineacetic acid methyl ester
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Physical Properties

Property Value Unit Source
ΔfusH° 26.75 kJ/mol Joback Calculated Property
ΔvapH° 83.63 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.085 Crippen Calculated Property
McVol 190.920 ml/mol McGowan Calculated Property
Inp [1695.00; 1780.00]   Show Hide
Inp 1742.00 NIST
Inp 1704.00 NIST
Inp 1753.00 NIST
Inp 1715.00 NIST
Inp 1763.60 NIST
Inp 1725.00 NIST
Inp 1705.00 NIST
Inp 1737.00 NIST
Inp 1695.00 NIST
Inp 1704.00 NIST
Inp 1710.00 NIST
Inp 1715.00 NIST
Inp 1715.00 NIST
Inp 1705.00 NIST
Inp Outlier 1780.00 NIST
Inp 1737.00 NIST
Inp 1742.00 NIST
Inp 1704.00 NIST
Inp 1763.60 NIST
Inp 1705.00 NIST
I [2385.00; 2385.00]   Show Hide
I 2385.00 NIST
I 2385.00 NIST
Tfus 365.98 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 [535.99; 630.00] J/mol×K [690.35; 932.60] Show Hide
Cp,gas 535.99 J/mol×K 690.35 Joback Calculated Property
Cp,gas 555.28 J/mol×K 730.72 Joback Calculated Property
Cp,gas 573.06 J/mol×K 771.10 Joback Calculated Property
Cp,gas 589.39 J/mol×K 811.47 Joback Calculated Property
Cp,gas 604.30 J/mol×K 851.85 Joback Calculated Property
Cp,gas 617.83 J/mol×K 892.22 Joback Calculated Property
Cp,gas 630.00 J/mol×K 932.60 Joback Calculated Property

Similar Compounds

Ritalinic acid, trimethylsilyl ester. Ritalinic acid, N-trimethylsilyl-, trimethylsilyl ester. Methylphenidate, N-trifluoroacetyl-. Nortilidate. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Benazepril Me. Zinc octaethylporphyrin chloride. Leu-Trp, N-trimethylsilyl-, trimethylsilyl ester. 11-EPIHEMANTHAMINE. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl. Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-6-(trimethylsilyl)-, (5«alpha»,6«alpha»)-. DIHYDROERGOTAMINE. Methyldesorphine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). ERGOTAMINE.

Find more compounds similar to Methylphenidate.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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