Chemical Properties of TRICYCLO[3.3.1.1(3,7)]DECAN-1-OL

InChI

InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2

InChI Key

VLLNJDMHDJRNFK-UHFFFAOYSA-N

Formula

C10H16O

SMILES

OC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

152.24

Other Names

• 1-Adamantol
• 1-Adamantyl alcohol
• 1-Hydroxyadamantane
• 1-adamantanol
• Adamantan-1-ol
• Adamantol-(1)
• NSC 108837
• NSC 91633
• Tricyclo(3.3.1.1(3,7))-n-decanol
• tricyclo[3.3.1.13,7]decan-1-ol

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.
• I_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-5824.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	[-311.00; -311.00]	kJ/mol
ΔfH°gas	-311.00 ± 3.00	kJ/mol	NIST
ΔfH°gas	-311.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-397.00 ± 3.00	kJ/mol	NIST
ΔfusH°	12.82	kJ/mol	Joback Calculated Property
ΔsubH°	[86.00; 87.00]	kJ/mol
ΔsubH°	86.80 ± 0.20	kJ/mol	NIST
ΔsubH°	86.70 ± 0.20	kJ/mol	NIST
ΔsubH°	87.00 ± 3.00	kJ/mol	NIST
ΔsubH°	86.00	kJ/mol	NIST
ΔsubH°	86.60 ± 2.50	kJ/mol	NIST
ΔvapH°	60.80	kJ/mol	NIST
IE	[9.09; 9.23]	eV
IE	9.09 ± 0.05	eV	NIST
IE	9.23	eV	NIST
log10WS	-3.70		Relay (1.0) Calculated Property
logPoct/wat	1.948		Crippen Calculated Property
McVol	125.050	ml/mol	McGowan Calculated Property
Inp	[1268.00; 1341.00]
Inp	1280.00		NIST
Inp	1270.00		NIST
Inp	1333.00		NIST
Inp	1270.00		NIST
Inp	1333.00		NIST
Inp	1311.00		NIST
Inp	1268.00		NIST
Inp	1292.00		NIST
Inp	1301.00		NIST
Inp	1313.00		NIST
Inp	1268.00		NIST
Inp	1268.00		NIST
Inp	1320.00		NIST
Inp	1332.00		NIST
Inp	1341.00		NIST
Inp	1268.00		NIST
Inp	1270.00		NIST
Inp	1333.00		NIST
Inp	1280.00		NIST
Inp	1311.00		NIST
Ip	[1775.00; 1775.00]
Ip	1775.00		NIST
Ip	1775.00		NIST
Ip	1775.00		NIST
Ip	1775.00		NIST
Tfus	[554.15; 554.20]	K
Tfus	554.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	554.20 ± 0.00	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[2.50; 12.36]	kJ/mol	[369.20; 552.90]
ΔfusH	2.50	kJ/mol	369.20	NIST
ΔfusH	12.36	kJ/mol	552.90	NIST
ΔvapH	74.80	kJ/mol	298.00	Evaluation of vaporization enthalpies and liquid vapor pressures of cedrol, nerolidol, and 1-adamantanol by correlation gas chromatography
ΔfusS	6.80	J/mol×K	369.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[153.24; 508.89]	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			-2.00810e+02
Coefficient B			1.69630e+00
Coefficient C			-1.64200e-03
Coefficient D			6.55400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	153.24	J/mol×K	273.00	Calculated Property
Cp,gas	222.81	J/mol×K	353.78	Calculated Property
Cp,gas	280.04	J/mol×K	434.56	Calculated Property
Cp,gas	326.98	J/mol×K	515.33	Calculated Property
Cp,gas	365.72	J/mol×K	596.11	Calculated Property
Cp,gas	398.33	J/mol×K	676.89	Calculated Property
Cp,gas	426.88	J/mol×K	757.67	Calculated Property
Cp,gas	453.44	J/mol×K	838.44	Calculated Property
Cp,gas	480.09	J/mol×K	919.22	Calculated Property
Cp,gas	508.89	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to TRICYCLO[3.3.1.1(3,7)]DECAN-1-OL.

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
• Determination of solvation and specific interaction enthalpies of adamantane derivatives in aprotic solvents
• Adamantanes: Benchmarking of thermochemical properties
• Evaluation of vaporization enthalpies and liquid vapor pressures of cedrol, nerolidol, and 1-adamantanol by correlation gas chromatography
• Joback Method
• McGowan Method
• NIST Webbook

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