Chemical Properties of 2-Methylisoborneol (CAS 2371-42-8)

InChI

InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3/t8?,10?,11-/m1/s1

InChI Key

LFYXNXGVLGKVCJ-BOBPJJCASA-N

Formula

C11H20O

SMILES

CC1(O)CC2CCC1(C)C2(C)C

Molecular Weight¹

168.28

CAS

2371-42-8

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	5.75	kJ/mol	Joback Calculated Property
ΔvapH°	69.35	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.584		Crippen Calculated Property
McVol	150.000	ml/mol	McGowan Calculated Property
Inp	[1158.00; 1210.00]
Inp	1197.00		NIST
Inp	1188.00		NIST
Inp	1210.00		NIST
Inp	1201.00		NIST
Inp	1180.00		NIST
Inp	1204.00		NIST
Inp	1158.00		NIST
Inp	1210.00		NIST
Inp	1164.00		NIST
Inp	1164.00		NIST
Inp	1183.00		NIST
Inp	1158.00		NIST
Ip	[1562.00; 1622.00]
Ip	1602.00		NIST
Ip	1599.00		NIST
Ip	1592.00		NIST
Ip	1592.00		NIST
Ip	1622.00		NIST
Ip	1562.00		NIST
Ip	1562.00		NIST
Ip	1602.00		NIST
Ip	1592.00		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, 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	[192.30; 602.06]	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			-2.45520e+02
Coefficient B			2.19778e+00
Coefficient C			-2.48600e-03
Coefficient D			1.13580e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.30	J/mol×K	273.00	Calculated Property
Cp,gas	271.15	J/mol×K	353.78	Calculated Property
Cp,gas	333.29	J/mol×K	434.56	Calculated Property
Cp,gas	382.31	J/mol×K	515.33	Calculated Property
Cp,gas	421.80	J/mol×K	596.11	Calculated Property
Cp,gas	455.35	J/mol×K	676.89	Calculated Property
Cp,gas	486.57	J/mol×K	757.67	Calculated Property
Cp,gas	519.03	J/mol×K	838.44	Calculated Property
Cp,gas	556.33	J/mol×K	919.22	Calculated Property
Cp,gas	602.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylisoborneol.

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