Chemical Properties of Senkyunolide H (CAS 94596-27-7)

InChI

InChI=1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/b9-4-

InChI Key

DQNGMIQSXNGHOA-WTKPLQERSA-N

Formula

C12H16O4

SMILES

CCCC=C1OC(=O)C2=C1CCC(O)C2O

Molecular Weight¹

224.25

CAS

94596-27-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	34.32	kJ/mol	Joback Calculated Property
logPoct/wat	1.039		Crippen Calculated Property
McVol	168.800	ml/mol	McGowan Calculated Property
Inp	[2033.90; 2033.90]
Inp	2033.90		NIST
Inp	2033.90		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.35; 559.20]	J/mol×K	[750.25; 939.19]
Cp,gas	503.35	J/mol×K	750.25	Joback Calculated Property
Cp,gas	514.00	J/mol×K	781.74	Joback Calculated Property
Cp,gas	524.07	J/mol×K	813.23	Joback Calculated Property
Cp,gas	533.58	J/mol×K	844.72	Joback Calculated Property
Cp,gas	542.57	J/mol×K	876.21	Joback Calculated Property
Cp,gas	551.10	J/mol×K	907.70	Joback Calculated Property
Cp,gas	559.20	J/mol×K	939.19	Joback Calculated Property
η	[0.0000425; 0.0014543]	Pa×s	[457.49; 750.25]
η	0.0014543	Pa×s	457.49	Joback Calculated Property
η	0.0006078	Pa×s	506.28	Joback Calculated Property
η	0.0002961	Pa×s	555.08	Joback Calculated Property
η	0.0001620	Pa×s	603.87	Joback Calculated Property
η	0.0000970	Pa×s	652.66	Joback Calculated Property
η	0.0000624	Pa×s	701.46	Joback Calculated Property
η	0.0000425	Pa×s	750.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Senkyunolide H.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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