Chemical Properties of Reynosin (CAS 28254-53-7)

InChI

InChI=1S/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-13,16H,1-2,4-7H2,3H3

InChI Key

FKBUODICGDOIGB-UHFFFAOYSA-N

Formula

C15H20O3

SMILES

C=C1C(=O)OC2C1CCC1(C)C(O)CCC(=C)C21

Molecular Weight¹

248.32

CAS

28254-53-7

• 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°	-51.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-438.06	kJ/mol	Joback Calculated Property
ΔfusH°	25.71	kJ/mol	Joback Calculated Property
ΔvapH°	73.40	kJ/mol	Joback Calculated Property
log10WS	-3.12		Crippen Calculated Property
logPoct/wat	2.211		Crippen Calculated Property
McVol	194.340	ml/mol	McGowan Calculated Property
Pc	2419.50	kPa	Joback Calculated Property
Inp	[2266.10; 2266.10]
Inp	2266.10		NIST
Inp	2266.10		NIST
Tboil	756.07	K	Joback Calculated Property
Tc	979.49	K	Joback Calculated Property
Tfus	496.94	K	Joback Calculated Property
Vc	0.726	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[626.67; 725.29]	J/mol×K	[756.07; 979.49]
Cp,gas	626.67	J/mol×K	756.07	Joback Calculated Property
Cp,gas	644.65	J/mol×K	793.31	Joback Calculated Property
Cp,gas	661.84	J/mol×K	830.54	Joback Calculated Property
Cp,gas	678.37	J/mol×K	867.78	Joback Calculated Property
Cp,gas	694.37	J/mol×K	905.01	Joback Calculated Property
Cp,gas	709.96	J/mol×K	942.25	Joback Calculated Property
Cp,gas	725.29	J/mol×K	979.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Reynosin.

Sources

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

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