Chemical Properties of Dicyclomine (CAS 77-19-0)

InChI

InChI=1S/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3

InChI Key

CURUTKGFNZGFSE-UHFFFAOYSA-N

Formula

C19H35NO2

SMILES

CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1

Molecular Weight¹

309.49

CAS

77-19-0

Other Names

• [1,1'-Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester
• [Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester
• Bentyl
• Bentylol
• Dicycloverin
• Dicycloverine
• Diocyl
• Wyovin

• 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°	29.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-488.88	kJ/mol	Joback Calculated Property
ΔfusH°	28.15	kJ/mol	Joback Calculated Property
ΔvapH°	68.79	kJ/mol	Joback Calculated Property
log10WS	-4.51		Crippen Calculated Property
logPoct/wat	4.402		Crippen Calculated Property
McVol	274.270	ml/mol	McGowan Calculated Property
Pc	1546.35	kPa	Joback Calculated Property
Inp	[2075.00; 2144.00]
Inp	2106.00		NIST
Inp	Outlier 2144.00		NIST
Inp	2110.00		NIST
Inp	2091.00		NIST
Inp	2091.00		NIST
Inp	2080.00		NIST
Inp	2100.00		NIST
Inp	2095.00		NIST
Inp	2080.00		NIST
Inp	2091.00		NIST
Inp	2075.00		NIST
Inp	2120.00		NIST
Inp	2095.00		NIST
Inp	2096.00		NIST
Inp	2099.00		NIST
Inp	2095.00		NIST
Inp	2100.00		NIST
Inp	2080.00		NIST
Inp	2097.00		NIST
Inp	2091.00		NIST
Inp	2110.00		NIST
Inp	2080.00		NIST
Inp	2095.00		NIST
Tboil	762.19	K	Joback Calculated Property
Tc	976.57	K	Joback Calculated Property
Tfus	447.18	K	Joback Calculated Property
Vc	1.006	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[882.49; 1010.30]	J/mol×K	[762.19; 976.57]
Cp,gas	882.49	J/mol×K	762.19	Joback Calculated Property
Cp,gas	906.37	J/mol×K	797.92	Joback Calculated Property
Cp,gas	929.04	J/mol×K	833.65	Joback Calculated Property
Cp,gas	950.63	J/mol×K	869.38	Joback Calculated Property
Cp,gas	971.27	J/mol×K	905.11	Joback Calculated Property
Cp,gas	991.12	J/mol×K	940.84	Joback Calculated Property
Cp,gas	1010.30	J/mol×K	976.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dicyclomine.

Sources

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