Chemical Properties of Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1«alpha»,2«alpha»,3«beta»,6«alpha»)- (CAS 90026-62-3)

InChI

InChI=1S/C10H18O/c1-6-4-5-7-8(9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3

InChI Key

RPPLFPVIBFQGJC-UHFFFAOYSA-N

Formula

C10H18O

SMILES

CC1CCC2C(C1O)C2(C)C

Molecular Weight¹

154.25

CAS

90026-62-3

Other Names

• 3-Caranol

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.83	kJ/mol	Joback Calculated Property
logPoct/wat	2.049		Crippen Calculated Property
McVol	135.910	ml/mol	McGowan Calculated Property
Inp	[186.70; 1143.00]
Inp	1143.00		NIST
Inp	186.70		NIST
Inp	1143.00		NIST
Tboil	477.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[181.21; 542.47]	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			-1.38690e+02
Coefficient B			1.49246e+00
Coefficient C			-1.31100e-03
Coefficient D			4.99700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.21	J/mol×K	273.00	Calculated Property
Cp,gas	247.35	J/mol×K	353.78	Calculated Property
Cp,gas	303.31	J/mol×K	434.56	Calculated Property
Cp,gas	350.65	J/mol×K	515.33	Calculated Property
Cp,gas	390.97	J/mol×K	596.11	Calculated Property
Cp,gas	425.84	J/mol×K	676.89	Calculated Property
Cp,gas	456.85	J/mol×K	757.67	Calculated Property
Cp,gas	485.57	J/mol×K	838.44	Calculated Property
Cp,gas	513.58	J/mol×K	919.22	Calculated Property
Cp,gas	542.47	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[4.1.0]heptan-2-ol, 3,7,7-trimethyl-, (1«alpha»,2«alpha»,3«beta»,6«alpha»)-.

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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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