Chemical Properties of Senkyunolide J (CAS 94530-86-6)

InChI

InChI=1S/C12H18O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h8-9,11,13-14H,2-6H2,1H3

InChI Key

AXRIHSJZHOTGAE-UHFFFAOYSA-N

Formula

C12H18O4

SMILES

CCCCC1OC(=O)C2=C1CCC(O)C2O

Molecular Weight¹

226.27

CAS

94530-86-6

• 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°	-344.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-723.55	kJ/mol	Joback Calculated Property
ΔfusH°	33.99	kJ/mol	Joback Calculated Property
ΔvapH°	86.07	kJ/mol	Joback Calculated Property
log10WS	-2.21		Crippen Calculated Property
logPoct/wat	0.914		Crippen Calculated Property
McVol	173.100	ml/mol	McGowan Calculated Property
Pc	2915.53	kPa	Joback Calculated Property
Inp	[1973.90; 1973.90]
Inp	1973.90		NIST
Inp	1973.90		NIST
Tboil	783.83	K	Joback Calculated Property
Tc	983.26	K	Joback Calculated Property
Tfus	488.31	K	Joback Calculated Property
Vc	0.648	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[559.35; 624.32]	J/mol×K	[783.83; 983.26]
Cp,gas	559.35	J/mol×K	783.83	Joback Calculated Property
Cp,gas	572.19	J/mol×K	817.07	Joback Calculated Property
Cp,gas	584.20	J/mol×K	850.31	Joback Calculated Property
Cp,gas	595.41	J/mol×K	883.54	Joback Calculated Property
Cp,gas	605.82	J/mol×K	916.78	Joback Calculated Property
Cp,gas	615.46	J/mol×K	950.02	Joback Calculated Property
Cp,gas	624.32	J/mol×K	983.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Senkyunolide J.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.