Chemical Properties of PROPAFENONE-H2O, M(DESAMINO-HO-), AC

InChI

InChI=1S/C20H20O4/c1-16(21)23-14-7-15-24-20-11-6-5-10-18(20)19(22)13-12-17-8-3-2-4-9-17/h2-11,15H,12-14H2,1H3/b15-7+

InChI Key

JNJLPJKSKKKSAY-VIZOYTHASA-N

Formula

C20H20O4

SMILES

CC(=O)OCC=COc1ccccc1C(=O)CCc1ccccc1

Molecular Weight¹

324.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-54.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-366.92	kJ/mol	Joback Calculated Property
ΔfusH°	41.02	kJ/mol	Joback Calculated Property
ΔvapH°	83.60	kJ/mol	Joback Calculated Property
log10WS	-5.17		Crippen Calculated Property
logPoct/wat	3.958		Crippen Calculated Property
McVol	255.720	ml/mol	McGowan Calculated Property
Pc	1815.41	kPa	Joback Calculated Property
Inp	[2715.00; 2715.00]
Inp	2715.00		NIST
Inp	2715.00		NIST
Tboil	872.08	K	Joback Calculated Property
Tc	1102.04	K	Joback Calculated Property
Tfus	519.76	K	Joback Calculated Property
Vc	0.968	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[754.10; 819.85]	J/mol×K	[872.08; 1102.04]
Cp,gas	754.10	J/mol×K	872.08	Joback Calculated Property
Cp,gas	767.90	J/mol×K	910.41	Joback Calculated Property
Cp,gas	780.48	J/mol×K	948.73	Joback Calculated Property
Cp,gas	791.90	J/mol×K	987.06	Joback Calculated Property
Cp,gas	802.24	J/mol×K	1025.39	Joback Calculated Property
Cp,gas	811.53	J/mol×K	1063.71	Joback Calculated Property
Cp,gas	819.85	J/mol×K	1102.04	Joback Calculated Property
η	[0.0000490; 0.0004750]	Pa×s	[519.76; 872.08]
η	0.0004750	Pa×s	519.76	Joback Calculated Property
η	0.0002684	Pa×s	578.48	Joback Calculated Property
η	0.0001685	Pa×s	637.20	Joback Calculated Property
η	0.0001145	Pa×s	695.92	Joback Calculated Property
η	0.0000826	Pa×s	754.64	Joback Calculated Property
η	0.0000624	Pa×s	813.36	Joback Calculated Property
η	0.0000490	Pa×s	872.08	Joback Calculated Property

Similar Compounds

Find more compounds similar to PROPAFENONE-H2O, M(DESAMINO-HO-), AC.

Sources

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

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