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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.02; 523.10]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.26180e+01
Coefficient B			1.18172e+00
Coefficient C			-8.60900e-04
Coefficient D			2.54900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.02	J/mol×K	273.00	Calculated Property
Cp,gas	268.99	J/mol×K	353.78	Calculated Property
Cp,gas	319.25	J/mol×K	434.56	Calculated Property
Cp,gas	362.62	J/mol×K	515.33	Calculated Property
Cp,gas	399.89	J/mol×K	596.11	Calculated Property
Cp,gas	431.88	J/mol×K	676.89	Calculated Property
Cp,gas	459.39	J/mol×K	757.67	Calculated Property
Cp,gas	483.23	J/mol×K	838.44	Calculated Property
Cp,gas	504.20	J/mol×K	919.22	Calculated Property
Cp,gas	523.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019394; 0.0005320]	Pa×s	[344.33; 548.13]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.72416e+00
Coefficient B			1.19785e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			344.33
Temperature range, max.			548.13
η	0.0019394	Pa×s	344.33	Calculated Property
η	0.0015647	Pa×s	366.97	Calculated Property
η	0.0012944	Pa×s	389.62	Calculated Property
η	0.0010932	Pa×s	412.26	Calculated Property
η	0.0009397	Pa×s	434.91	Calculated Property
η	0.0008200	Pa×s	457.55	Calculated Property
η	0.0007248	Pa×s	480.20	Calculated Property
η	0.0006478	Pa×s	502.84	Calculated Property
η	0.0005846	Pa×s	525.49	Calculated Property
η	0.0005320	Pa×s	548.13	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

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