Chemical Properties of Methyl-«alpha»-Campholytate

InChI

InChI=1S/C10H16O2/c1-7-5-6-8(9(11)12-4)10(7,2)3/h5,8H,6H2,1-4H3

InChI Key

HLOKTALAKNKDBK-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

COC(=O)C1CC=C(C)C1(C)C

Molecular Weight¹

168.23

• 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°	15.57	kJ/mol	Joback Calculated Property
logPoct/wat	2.152		Crippen Calculated Property
McVol	144.040	ml/mol	McGowan Calculated Property
Inp	[1105.00; 1117.00]
Inp	1105.00		NIST
Inp	1117.00		NIST
Inp	1105.00		NIST
Inp	1117.00		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	[195.14; 506.29]	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			-6.32500e+01
Coefficient B			1.18068e+00
Coefficient C			-9.50440e-04
Coefficient D			3.39300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.14	J/mol×K	273.00	Calculated Property
Cp,gas	250.52	J/mol×K	353.78	Calculated Property
Cp,gas	298.18	J/mol×K	434.56	Calculated Property
Cp,gas	339.22	J/mol×K	515.33	Calculated Property
Cp,gas	374.70	J/mol×K	596.11	Calculated Property
Cp,gas	405.70	J/mol×K	676.89	Calculated Property
Cp,gas	433.28	J/mol×K	757.67	Calculated Property
Cp,gas	458.52	J/mol×K	838.44	Calculated Property
Cp,gas	482.50	J/mol×K	919.22	Calculated Property
Cp,gas	506.29	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Methyl-«alpha»-Campholytate.

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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