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

• p-Menthane-1,8-diol
• Terpin
• 1,8-Terpin
• Dipenteneglycol
• p-Mentha-1,8-diol
• NSC 403856
• Terpin 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 : 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
I	[2244.00; 2244.00]
I	2244.00		NIST
I	2244.00		NIST
I	2244.00		NIST
Tboil	521.78	K	Relay (1.0) Calculated Property
Tfus	378.00	K	Relay (1.0) Calculated Property

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[434.23; 510.42]	J/mol×K	[624.45; 816.90]
Cp,gas	434.23	J/mol×K	624.45	Joback Calculated Property
Cp,gas	448.51	J/mol×K	656.53	Joback Calculated Property
Cp,gas	462.03	J/mol×K	688.60	Joback Calculated Property
Cp,gas	474.88	J/mol×K	720.68	Joback Calculated Property
Cp,gas	487.17	J/mol×K	752.75	Joback Calculated Property
Cp,gas	498.98	J/mol×K	784.83	Joback Calculated Property
Cp,gas	510.42	J/mol×K	816.90	Joback Calculated Property

Similar Compounds

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

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.