Chemical Properties of 1,2-CYCLOHEXANEDIOL, 1-METHYL-4-(1-METHYLETHENYL)-

InChI

InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3

InChI Key

WKZWTZTZWGWEGE-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

C=C(C)C1CCC(C)(O)C(O)C1

Molecular Weight¹

170.25

Other Names

• 1-Methyl-4-(1-methylethenyl)-1,2-cyclohexanediol
• 8-p-Menthadien-1,2-diol
• 8-p-Menthen-1,2-diol
• Limonene-1,2-diol
• Limonene glycol
• limonene-diol
• Limonen-1,2-diol
• p-Menth-8-en-1,2-diol
• 1-methyl-4-(1-methylvinyl)cyclohexane-1,2-diol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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°	14.92	kJ/mol	Joback Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
logPoct/wat	1.475		Crippen Calculated Property
McVol	148.340	ml/mol	McGowan Calculated Property
Inp	[1321.00; 1342.90]
Inp	1342.90		NIST
Inp	1321.00		NIST
Inp	1321.00		NIST
Inp	1342.90		NIST
Ip	[2226.00; 2325.00]
Ip	2325.00		NIST
Ip	2226.00		NIST
Ip	2268.00		NIST
Ip	2290.00		NIST
Ip	2273.00		NIST
Ip	2275.00		NIST
Ip	2306.00		NIST
Ip	2273.00		NIST
Tboil	534.81	K	Relay (1.0) Calculated Property
Tfus	350.39	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, 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	[195.45; 549.52]	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			-1.02020e+02
Coefficient B			1.36274e+00
Coefficient C			-1.10900e-03
Coefficient D			3.97800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.45	J/mol×K	273.00	Calculated Property
Cp,gas	258.90	J/mol×K	353.78	Calculated Property
Cp,gas	313.39	J/mol×K	434.56	Calculated Property
Cp,gas	360.17	J/mol×K	515.33	Calculated Property
Cp,gas	400.51	J/mol×K	596.11	Calculated Property
Cp,gas	435.66	J/mol×K	676.89	Calculated Property
Cp,gas	466.87	J/mol×K	757.67	Calculated Property
Cp,gas	495.42	J/mol×K	838.44	Calculated Property
Cp,gas	522.55	J/mol×K	919.22	Calculated Property
Cp,gas	549.52	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-CYCLOHEXANEDIOL, 1-METHYL-4-(1-METHYLETHENYL)-.

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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