Chemical Properties of TRICYCLO[3.3.1.1(3,7)]DECANE-2,6-DIOL

InChI

InChI=1S/C10H16O2/c11-9-5-1-6-3-8(9)4-7(2-5)10(6)12/h5-12H,1-4H2

InChI Key

MJHGVORZDBZFTH-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

OC1C2CC3CC1CC(C2)C3O

Molecular Weight¹

168.24

Other Names

• 2,6-Dihydroxyadamantane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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
ΔfH°gas	-396.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.35	kJ/mol	Joback Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-2.49		Relay (1.0) Calculated Property
logPoct/wat	0.774		Crippen Calculated Property
McVol	130.920	ml/mol	McGowan Calculated Property
Inp	[1611.00; 1625.00]
Inp	1611.00		NIST
Inp	1618.00		NIST
Inp	1625.00		NIST
Inp	1611.00		NIST
Inp	1618.00		NIST
Inp	1611.00		NIST
Tboil	546.18	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[174.20; 533.55]	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			-1.33650e+02
Coefficient B			1.38540e+00
Coefficient C			-1.02900e-03
Coefficient D			3.10800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.20	J/mol×K	273.00	Calculated Property
Cp,gas	241.45	J/mol×K	353.78	Calculated Property
Cp,gas	299.57	J/mol×K	434.56	Calculated Property
Cp,gas	349.56	J/mol×K	515.33	Calculated Property
Cp,gas	392.38	J/mol×K	596.11	Calculated Property
Cp,gas	429.04	J/mol×K	676.89	Calculated Property
Cp,gas	460.50	J/mol×K	757.67	Calculated Property
Cp,gas	487.75	J/mol×K	838.44	Calculated Property
Cp,gas	511.77	J/mol×K	919.22	Calculated Property
Cp,gas	533.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0095688; 0.0006923]	Pa×s	[361.68; 568.12]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.18766e+01
Coefficient B			2.61400e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			361.68
Temperature range, max.			568.12
η	0.0095688	Pa×s	361.68	Calculated Property
η	0.0062183	Pa×s	384.62	Calculated Property
η	0.0042418	Pa×s	407.55	Calculated Property
η	0.0030139	Pa×s	430.49	Calculated Property
η	0.0022168	Pa×s	453.43	Calculated Property
η	0.0016795	Pa×s	476.37	Calculated Property
η	0.0013053	Pa×s	499.30	Calculated Property
η	0.0010371	Pa×s	522.24	Calculated Property
η	0.0008402	Pa×s	545.18	Calculated Property
η	0.0006923	Pa×s	568.12	Calculated Property

Similar Compounds

Find more compounds similar to TRICYCLO[3.3.1.1(3,7)]DECANE-2,6-DIOL.

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.