Chemical Properties of Cyclopentolate (CAS 512-15-2)

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

CAS

512-15-2

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-26.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-416.74	kJ/mol	Joback Calculated Property
ΔfusH°	27.84	kJ/mol	Joback Calculated Property
ΔvapH°	82.31	kJ/mol	Joback Calculated Property
log10WS	-2.71		Crippen Calculated Property
logPoct/wat	2.180		Crippen Calculated Property
McVol	239.060	ml/mol	McGowan Calculated Property
Pc	2163.33	kPa	Joback Calculated Property
Inp	[2010.00; 2020.00]
Inp	2014.00		NIST
Inp	2010.00		NIST
Inp	2020.00		NIST
Inp	2010.00		NIST
Tboil	811.03	K	Joback Calculated Property
Tc	1022.94	K	Joback Calculated Property
Tfus	493.02	K	Joback Calculated Property
Vc	0.874	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[748.50; 843.09]	J/mol×K	[811.03; 1022.94]
Cp,gas	748.50	J/mol×K	811.03	Joback Calculated Property
Cp,gas	765.32	J/mol×K	846.35	Joback Calculated Property
Cp,gas	781.53	J/mol×K	881.67	Joback Calculated Property
Cp,gas	797.27	J/mol×K	916.98	Joback Calculated Property
Cp,gas	812.69	J/mol×K	952.30	Joback Calculated Property
Cp,gas	827.91	J/mol×K	987.62	Joback Calculated Property
Cp,gas	843.09	J/mol×K	1022.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopentolate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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