Chemical Properties of Cyclopentolate

Cyclopentolate

InChI
InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3
InChI Key
SKYSRIRYMSLOIN-UHFFFAOYSA-N
Formula
C17H25NO3
SMILES
CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1
Molecular Weight1
291.39
Other Names
  • Benzeneacetic acid, «alpha»-(1-hydroxycyclopentyl)-, 2-(dimethylamino)ethyl ester
  • Cyclopentaneacetic acid, 1-hydroxy-«alpha»-phenyl-, 2-(dimethylamino)ethyl ester
  • «beta»-(Dimethylamino)ethyl (1-hydroxycyclopentyl)phenylacetate
  • Cyclopentylate
  • 1-Hydroxy-«alpha»-phenylcyclopentaneacetic acid, 2-(dimethylamino)ethyl ester
  • 2-Dimethylaminoethyl 1-hydroxy-«alpha»-phenylcyclopentaneacetate
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Physical Properties

Property Value Unit Source
ΔfusH° 29.42 kJ/mol Joback Calculated Property
log10WS -1.84 Relay (1.0) Calculated Property
logPoct/wat 2.180 Crippen Calculated Property
McVol 239.060 ml/mol McGowan Calculated Property
Inp [2010.00; 2020.00]   Show Hide
Inp 2014.00 NIST
Inp 2010.00 NIST
Inp 2020.00 NIST
Inp 2010.00 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 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 [315.74; 833.82] 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 A-1.38618e+02
Coefficient B2.07254e+00
Coefficient C-1.64380e-03
Coefficient D5.43700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 315.74 J/mol×K 273.00 Calculated Property
Cp,gas 412.94 J/mol×K 353.78 Calculated Property
Cp,gas 496.22 J/mol×K 434.56 Calculated Property
Cp,gas 567.30 J/mol×K 515.33 Calculated Property
Cp,gas 627.89 J/mol×K 596.11 Calculated Property
Cp,gas 679.73 J/mol×K 676.89 Calculated Property
Cp,gas 724.52 J/mol×K 757.67 Calculated Property
Cp,gas 763.98 J/mol×K 838.44 Calculated Property
Cp,gas 799.85 J/mol×K 919.22 Calculated Property
Cp,gas 833.82 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Alanine, N-[N-[N-[N-(1-oxodecyl)glycyl]-L-tryptophyl]-L-alanyl]-, methyl ester. Hydrastine. Bicyclohexyl-1,1'-diol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. Noscapine. cis-1,2-Tetralinediol, ferrocenylboronate. Butorphanol di-TMS derivative. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Moexipril desethyl - H2O Me (Moexprilate - H2O Me). Morphinan-3,6-«alpha»-diol, 7,8-didehydro-4,5-«alpha»-epoxy-17-methyl-, acetate. RESCINNAMINE. CODEIN-PROPIONYL. ERGOTAMINE. DIHYDROERGOTAMINE. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate.

Find more compounds similar to Cyclopentolate.

Sources

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