Chemical Properties of Guvacoline (CAS 495-19-2)

InChI

InChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3

InChI Key

DYPLDWLIOGXSSE-UHFFFAOYSA-N

Formula

C7H11NO2

SMILES

COC(=O)C1=CCCNC1

Molecular Weight¹

141.17

CAS

495-19-2

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.44	kJ/mol	Joback Calculated Property
log10WS	0.06		Relay (1.0) Calculated Property
logPoct/wat	0.079		Crippen Calculated Property
McVol	111.750	ml/mol	McGowan Calculated Property
Inp	[1250.30; 1250.30]
Inp	1250.30		NIST
Inp	1250.30		NIST
Tboil	487.15	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[239.62; 310.42]	J/mol×K	[494.89; 716.27]
Cp,gas	239.62	J/mol×K	494.89	Joback Calculated Property
Cp,gas	253.19	J/mol×K	531.79	Joback Calculated Property
Cp,gas	266.05	J/mol×K	568.68	Joback Calculated Property
Cp,gas	278.20	J/mol×K	605.58	Joback Calculated Property
Cp,gas	289.65	J/mol×K	642.48	Joback Calculated Property
Cp,gas	300.39	J/mol×K	679.38	Joback Calculated Property
Cp,gas	310.42	J/mol×K	716.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Guvacoline.

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.
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