Chemical Properties of Dihydrodehydrocostus lactone (CAS 4955-03-7)

InChI

InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3

InChI Key

UJADCNYXDHHISU-UHFFFAOYSA-N

Formula

C15H20O2

SMILES

C=C1CCC2C(C)C(=O)OC2C2C(=C)CCC12

Molecular Weight¹

232.32

CAS

4955-03-7

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4033		Relay (1.0) Calculated Property
ΔfG°	91.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-348.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.92	kJ/mol	Joback Calculated Property
ΔvapH°	88.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-3.73		Relay (1.0) Calculated Property
logPoct/wat	3.096		Crippen Calculated Property
McVol	188.470	ml/mol	McGowan Calculated Property
Pc	2123.64	kPa	Joback Calculated Property
Inp	[1953.90; 1953.90]
Inp	1953.90		NIST
Inp	1953.90		NIST
Tboil	600.41	K	Relay (1.0) Calculated Property
Tc	826.64	K	Relay (1.0) Calculated Property
Tfus	391.02	K	Relay (1.0) Calculated Property
Vc	0.649	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[564.23; 674.32]	J/mol×K	[663.65; 897.40]
Cp,gas	564.23	J/mol×K	663.65	Joback Calculated Property
Cp,gas	586.12	J/mol×K	702.61	Joback Calculated Property
Cp,gas	606.54	J/mol×K	741.57	Joback Calculated Property
Cp,gas	625.53	J/mol×K	780.53	Joback Calculated Property
Cp,gas	643.13	J/mol×K	819.49	Joback Calculated Property
Cp,gas	659.38	J/mol×K	858.44	Joback Calculated Property
Cp,gas	674.32	J/mol×K	897.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dihydrodehydrocostus lactone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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