Chemical Properties of sedanonic acid lactone

InChI

InChI=1S/C12H16O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h8H,2-7H2,1H3/b11-8-

InChI Key

YHOZXUUDDDOBKS-FLIBITNWSA-N

Formula

C12H16O2

SMILES

CCCC=C1OC(=O)C2=C1CCCC2

Molecular Weight¹

192.25

Other Names

• Z-butylidene-4,5,6,7-tetrahydrophthalide

• 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°	24.00	kJ/mol	Joback Calculated Property
logPoct/wat	3.098		Crippen Calculated Property
McVol	157.060	ml/mol	McGowan Calculated Property
Inp	[1711.00; 1711.00]
Inp	1711.00		NIST
Inp	1711.00		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	[390.80; 467.24]	J/mol×K	[575.23; 783.04]
Cp,gas	390.80	J/mol×K	575.23	Joback Calculated Property
Cp,gas	405.69	J/mol×K	609.87	Joback Calculated Property
Cp,gas	419.64	J/mol×K	644.50	Joback Calculated Property
Cp,gas	432.70	J/mol×K	679.14	Joback Calculated Property
Cp,gas	444.95	J/mol×K	713.77	Joback Calculated Property
Cp,gas	456.44	J/mol×K	748.41	Joback Calculated Property
Cp,gas	467.24	J/mol×K	783.04	Joback Calculated Property
η	[0.0004800; 0.0019394]	Pa×s	[344.33; 575.23]
η	0.0019394	Pa×s	344.33	Joback Calculated Property
η	0.0013671	Pa×s	382.81	Joback Calculated Property
η	0.0010272	Pa×s	421.30	Joback Calculated Property
η	0.0008097	Pa×s	459.78	Joback Calculated Property
η	0.0006621	Pa×s	498.26	Joback Calculated Property
η	0.0005573	Pa×s	536.75	Joback Calculated Property
η	0.0004800	Pa×s	575.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to sedanonic acid lactone.

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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