Chemical Properties of Lateriticone

InChI

InChI=1S/C15H22O4/c1-8(2)7-10(16)11-12(17)9(3)14(19-6)15(4,5)13(11)18/h8,11H,7H2,1-6H3

InChI Key

RXRUOPLAZFLXKJ-UHFFFAOYSA-N

Formula

C15H22O4

SMILES

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

Molecular Weight¹

266.33

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.94	kJ/mol	Joback Calculated Property
logPoct/wat	2.316		Crippen Calculated Property
McVol	217.630	ml/mol	McGowan Calculated Property
I	[2388.00; 2388.00]
I	2388.00		NIST
I	2388.00		NIST
I	2388.00		NIST
I	2388.00		NIST
I	2388.00		NIST
I	2388.00		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	[311.29; 761.19]	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			2.00110e+01
Coefficient B			1.21952e+00
Coefficient C			-5.89100e-04
Coefficient D			1.10760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	311.29	J/mol×K	273.00	Calculated Property
Cp,gas	382.62	J/mol×K	353.78	Calculated Property
Cp,gas	447.80	J/mol×K	434.56	Calculated Property
Cp,gas	507.18	J/mol×K	515.33	Calculated Property
Cp,gas	561.11	J/mol×K	596.11	Calculated Property
Cp,gas	609.93	J/mol×K	676.89	Calculated Property
Cp,gas	654.00	J/mol×K	757.67	Calculated Property
Cp,gas	693.66	J/mol×K	838.44	Calculated Property
Cp,gas	729.28	J/mol×K	919.22	Calculated Property
Cp,gas	761.19	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Lateriticone.

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.
These property values are available through the Cheméo API. A free account gives you an access key.