Chemical Properties of Tasmanone

InChI

InChI=1S/C14H20O4/c1-7(2)10(15)9-11(16)8(3)13(18-6)14(4,5)12(9)17/h7,9H,1-6H3

InChI Key

WZXQWLWGLWIQGK-UHFFFAOYSA-N

Formula

C14H20O4

SMILES

COC1=C(C)C(=O)C(C(=O)C(C)C)C(=O)C1(C)C

Molecular Weight¹

252.31

• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.35	kJ/mol	Joback Calculated Property
logPoct/wat	1.926		Crippen Calculated Property
McVol	203.540	ml/mol	McGowan Calculated Property
Inp	[1698.00; 1698.00]
Inp	1698.00		NIST
Inp	1698.00		NIST
I	[2288.00; 2303.00]
I	2288.00		NIST
I	2303.00		NIST
I	2303.00		NIST
I	2303.00		NIST
I	2303.00		NIST
I	2303.00		NIST
I	2303.00		NIST
I	2303.00		NIST
I	2288.00		NIST
I	2303.00		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	[290.07; 709.60]	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			2.09200e+01
Coefficient B			1.12452e+00
Coefficient C			-5.34700e-04
Coefficient D			9.88600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	290.07	J/mol×K	273.00	Calculated Property
Cp,gas	356.21	J/mol×K	353.78	Calculated Property
Cp,gas	416.73	J/mol×K	434.56	Calculated Property
Cp,gas	471.95	J/mol×K	515.33	Calculated Property
Cp,gas	522.20	J/mol×K	596.11	Calculated Property
Cp,gas	567.77	J/mol×K	676.89	Calculated Property
Cp,gas	608.98	J/mol×K	757.67	Calculated Property
Cp,gas	646.15	J/mol×K	838.44	Calculated Property
Cp,gas	679.58	J/mol×K	919.22	Calculated Property
Cp,gas	709.60	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tasmanone.

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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