Chemical Properties of Guvacine ethyl ester (CAS 18513-76-3)

InChI

InChI=1S/C8H13NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h4,9H,2-3,5-6H2,1H3

InChI Key

DBJSKLKTQJMDTJ-UHFFFAOYSA-N

Formula

C8H13NO2

SMILES

CCOC(=O)C1=CCCNC1

Molecular Weight¹

155.19

CAS

18513-76-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-310.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.03	kJ/mol	Joback Calculated Property
logPoct/wat	0.469		Crippen Calculated Property
McVol	125.840	ml/mol	McGowan Calculated Property
Inp	[1324.50; 1324.50]
Inp	1324.50		NIST
Inp	1324.50		NIST
Tboil	503.26	K	Relay (1.0) Calculated Property
Tfus	292.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[283.46; 359.63]	J/mol×K	[517.77; 735.49]
Cp,gas	283.46	J/mol×K	517.77	Joback Calculated Property
Cp,gas	298.09	J/mol×K	554.06	Joback Calculated Property
Cp,gas	311.93	J/mol×K	590.34	Joback Calculated Property
Cp,gas	325.01	J/mol×K	626.63	Joback Calculated Property
Cp,gas	337.32	J/mol×K	662.92	Joback Calculated Property
Cp,gas	348.86	J/mol×K	699.21	Joback Calculated Property
Cp,gas	359.63	J/mol×K	735.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Guvacine ethyl ester.

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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