Chemical Properties of 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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

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]
Inp	2014.00		NIST
Inp	2010.00		NIST
Inp	2020.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[742.41; 835.10]	J/mol×K	[793.16; 1003.08]
Cp,gas	742.41	J/mol×K	793.16	Joback Calculated Property
Cp,gas	759.19	J/mol×K	828.15	Joback Calculated Property
Cp,gas	775.25	J/mol×K	863.13	Joback Calculated Property
Cp,gas	790.73	J/mol×K	898.12	Joback Calculated Property
Cp,gas	805.77	J/mol×K	933.11	Joback Calculated Property
Cp,gas	820.52	J/mol×K	968.09	Joback Calculated Property
Cp,gas	835.10	J/mol×K	1003.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentolate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.