Chemical Properties of Senkyunolide (CAS 62006-39-7)

InChI

InChI=1S/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7,11H,2-4,6,8H2,1H3

InChI Key

ZPIKVDODKLJKIN-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

CCCCC1OC(=O)C2=C1CCC=C2

Molecular Weight¹

192.25

CAS

62006-39-7

Other Names

• (S)-3-Butyl-4,5-dihydroisobenzofuran-1(3H)-one
• Sedanenolide
• (S)-Sedanenolide
• Senkyunolide A
• 3-n-Butyl-4,5-dihydrophthalide
• 1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro-, (-)-
• (-)-Sedanenolide
• 1(3H)-Isobenzofuranone, 3-butyl-4,5-dihydro-, (S)-

• 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°	-24.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-320.63	kJ/mol	Joback Calculated Property
ΔfusH°	24.89	kJ/mol	Joback Calculated Property
ΔvapH°	53.62	kJ/mol	Joback Calculated Property
log10WS	-3.32		Crippen Calculated Property
logPoct/wat	2.749		Crippen Calculated Property
McVol	157.060	ml/mol	McGowan Calculated Property
Pc	2673.54	kPa	Joback Calculated Property
Inp	[1719.00; 1729.00]
Inp	1729.00		NIST
Inp	1719.00		NIST
Inp	1729.00		NIST
Tboil	607.97	K	Joback Calculated Property
Tc	833.96	K	Joback Calculated Property
Tfus	375.91	K	Joback Calculated Property
Vc	0.599	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[414.73; 502.36]	J/mol×K	[607.97; 833.96]
Cp,gas	414.73	J/mol×K	607.97	Joback Calculated Property
Cp,gas	431.80	J/mol×K	645.64	Joback Calculated Property
Cp,gas	447.84	J/mol×K	683.30	Joback Calculated Property
Cp,gas	462.88	J/mol×K	720.97	Joback Calculated Property
Cp,gas	476.96	J/mol×K	758.63	Joback Calculated Property
Cp,gas	490.11	J/mol×K	796.30	Joback Calculated Property
Cp,gas	502.36	J/mol×K	833.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Senkyunolide.

Sources

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

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