Chemical Properties of 2-Cyclopenten-1-one, 5-butyl-3-methoxy- (CAS 53690-89-4)

InChI

InChI=1S/C10H16O2/c1-3-4-5-8-6-9(12-2)7-10(8)11/h7-8H,3-6H2,1-2H3

InChI Key

CONTYKWBFDNXFF-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CCCCC1CC(OC)=CC1=O

Molecular Weight¹

168.23

CAS

53690-89-4

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	17.12	kJ/mol	Joback Calculated Property
logPoct/wat	2.296		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Inp	[1156.00; 1156.00]
Inp	1156.00		NIST
Inp	1156.00		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	[202.24; 501.82]	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			1.73230e+01
Coefficient B			7.38540e-01
Coefficient C			-2.12840e-04
Coefficient D			-4.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	202.24	J/mol×K	273.00	Calculated Property
Cp,gas	250.14	J/mol×K	353.78	Calculated Property
Cp,gas	294.69	J/mol×K	434.56	Calculated Property
Cp,gas	335.76	J/mol×K	515.33	Calculated Property
Cp,gas	373.22	J/mol×K	596.11	Calculated Property
Cp,gas	406.94	J/mol×K	676.89	Calculated Property
Cp,gas	436.79	J/mol×K	757.67	Calculated Property
Cp,gas	462.64	J/mol×K	838.44	Calculated Property
Cp,gas	484.36	J/mol×K	919.22	Calculated Property
Cp,gas	501.82	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Cyclopenten-1-one, 5-butyl-3-methoxy-.

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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