Chemical Properties of marmelo lactone

InChI

InChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4+

InChI Key

VOJBXZDIFIJUKD-SNAWJCMRSA-N

Formula

C10H14O2

SMILES

C=C(C)C=CC1CC(C)C(=O)O1

Molecular Weight¹

166.22

Other Names

• 2,7-dimethyl-4-hydroxy-5(E),7-octadienoic acid lactone
• trans-Marmelolactone

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.84	kJ/mol	Joback Calculated Property
logPoct/wat	2.070		Crippen Calculated Property
McVol	139.740	ml/mol	McGowan Calculated Property
Ip	[2094.00; 2152.00]
Ip	2127.00		NIST
Ip	2152.00		NIST
Ip	2139.00		NIST
Ip	2094.00		NIST
Ip	2118.00		NIST
Ip	2094.00		NIST
Ip	2118.00		NIST
Ip	2094.00		NIST
Ip	2118.00		NIST
Ip	2139.00		NIST
Ip	2094.00		NIST
Ip	2127.00		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	[189.12; 470.38]	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			-4.19600e+01
Coefficient B			1.02334e+00
Coefficient C			-6.99400e-04
Coefficient D			1.88400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.12	J/mol×K	273.00	Calculated Property
Cp,gas	240.88	J/mol×K	353.78	Calculated Property
Cp,gas	286.12	J/mol×K	434.56	Calculated Property
Cp,gas	325.45	J/mol×K	515.33	Calculated Property
Cp,gas	359.44	J/mol×K	596.11	Calculated Property
Cp,gas	388.71	J/mol×K	676.89	Calculated Property
Cp,gas	413.84	J/mol×K	757.67	Calculated Property
Cp,gas	435.43	J/mol×K	838.44	Calculated Property
Cp,gas	454.08	J/mol×K	919.22	Calculated Property
Cp,gas	470.38	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to marmelo 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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