Chemical Properties of (Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one (CAS 116964-00-2)

InChI

InChI=1S/C13H16O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h6,8-9H,2-5,7H2,1H3/b12-9-

InChI Key

HMAYXYFQOZZPEZ-XFXZXTDPSA-N

Formula

C13H16O2

SMILES

CCCCC=C1OC(=O)C2=C1CCC=C2

Molecular Weight¹

204.26

CAS

116964-00-2

• 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°	27.81	kJ/mol	Joback Calculated Property
logPoct/wat	3.264		Crippen Calculated Property
McVol	166.850	ml/mol	McGowan Calculated Property
Inp	[1851.30; 1851.30]
Inp	1851.30		NIST
Inp	1851.30		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	[419.11; 493.03]	J/mol×K	[597.27; 803.70]
Cp,gas	419.11	J/mol×K	597.27	Joback Calculated Property
Cp,gas	433.51	J/mol×K	631.68	Joback Calculated Property
Cp,gas	446.99	J/mol×K	666.08	Joback Calculated Property
Cp,gas	459.62	J/mol×K	700.49	Joback Calculated Property
Cp,gas	471.45	J/mol×K	734.89	Joback Calculated Property
Cp,gas	482.57	J/mol×K	769.30	Joback Calculated Property
Cp,gas	493.03	J/mol×K	803.70	Joback Calculated Property
η	[0.0004677; 0.0018113]	Pa×s	[356.36; 597.27]
η	0.0018113	Pa×s	356.36	Joback Calculated Property
η	0.0012893	Pa×s	396.51	Joback Calculated Property
η	0.0009770	Pa×s	436.66	Joback Calculated Property
η	0.0007757	Pa×s	476.81	Joback Calculated Property
η	0.0006384	Pa×s	516.97	Joback Calculated Property
η	0.0005403	Pa×s	557.12	Joback Calculated Property
η	0.0004677	Pa×s	597.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one.

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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