Chemical Properties of Cyclohexanemethanol, 4-hydroxy-«alpha»,«alpha»,4-trimethyl- (CAS 80-53-5)

InChI

InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3

InChI Key

RBNWAMSGVWEHFP-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CC1(O)CCC(C(C)(C)O)CC1

Molecular Weight¹

172.26

CAS

80-53-5

Other Names

• 1,8-Terpin
• Dipenteneglycol
• NSC 403856
• Terpin
• Terpin p-menthane-1,8-diol
• p-Mentha-1,8-diol
• p-Menthane-1,8-diol

• 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.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	9.03	kJ/mol	Joback Calculated Property
logPoct/wat	1.698		Crippen Calculated Property
McVol	152.640	ml/mol	McGowan Calculated Property
Inp	[1279.00; 1279.00]
Inp	1279.00		NIST
Inp	1279.00		NIST
Ip	[2244.00; 2244.00]
Ip	2244.00		NIST
Ip	2244.00		NIST
Ip	2244.00		NIST
Tboil	521.78	K	Relay (1.0) Calculated Property
Tfus	431.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate 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	[201.38; 573.11]	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			-1.29750e+02
Coefficient B			1.53516e+00
Coefficient C			-1.31100e-03
Coefficient D			4.78700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.38	J/mol×K	273.00	Calculated Property
Cp,gas	270.47	J/mol×K	353.78	Calculated Property
Cp,gas	329.08	J/mol×K	434.56	Calculated Property
Cp,gas	378.72	J/mol×K	515.33	Calculated Property
Cp,gas	420.92	J/mol×K	596.11	Calculated Property
Cp,gas	457.17	J/mol×K	676.89	Calculated Property
Cp,gas	489.01	J/mol×K	757.67	Calculated Property
Cp,gas	517.93	J/mol×K	838.44	Calculated Property
Cp,gas	545.46	J/mol×K	919.22	Calculated Property
Cp,gas	573.11	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanemethanol, 4-hydroxy-«alpha»,«alpha»,4-trimethyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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