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_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°	-77.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-294.47	kJ/mol	Joback Calculated Property
ΔfusH°	20.45	kJ/mol	Joback Calculated Property
ΔvapH°	51.01	kJ/mol	Joback Calculated Property
log10WS	-0.97		Crippen Calculated Property
logPoct/wat	0.469		Crippen Calculated Property
McVol	125.840	ml/mol	McGowan Calculated Property
Pc	3646.53	kPa	Joback Calculated Property
Inp	[1324.50; 1324.50]
Inp	1324.50		NIST
Inp	1324.50		NIST
Tboil	535.64	K	Joback Calculated Property
Tc	756.09	K	Joback Calculated Property
Tfus	382.01	K	Joback Calculated Property
Vc	0.465	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[287.75; 362.50]	J/mol×K	[535.64; 756.09]
Cp,gas	287.75	J/mol×K	535.64	Joback Calculated Property
Cp,gas	302.03	J/mol×K	572.38	Joback Calculated Property
Cp,gas	315.57	J/mol×K	609.12	Joback Calculated Property
Cp,gas	328.39	J/mol×K	645.87	Joback Calculated Property
Cp,gas	340.49	J/mol×K	682.61	Joback Calculated Property
Cp,gas	351.85	J/mol×K	719.35	Joback Calculated Property
Cp,gas	362.50	J/mol×K	756.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Guvacine ethyl ester.

Sources

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

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