Chemical Properties of Adamantan-2-ol (CAS 700-57-2)

InChI

InChI=1S/C10H16O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2

InChI Key

FOWDOWQYRZXQDP-UHFFFAOYSA-N

Formula

C10H16O

SMILES

OC1C2CC3CC(C2)CC1C3

Molecular Weight¹

152.23

CAS

700-57-2

Other Names

• Tricyclo[3.3.1.1

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_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).
• 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 : 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	-5834.00 ± 4.00	kJ/mol	NIST
ΔfH°gas	-299.00 ± 4.60	kJ/mol	NIST
ΔfH°solid	-388.00 ± 4.00	kJ/mol	NIST
ΔfusH°	20.19	kJ/mol	Joback Calculated Property
ΔsubH°	[88.10; 89.00]	kJ/mol
ΔsubH°	88.10 ± 1.60	kJ/mol	NIST
ΔsubH°	89.00 ± 3.00	kJ/mol	NIST
ΔsubH°	89.00	kJ/mol	NIST
ΔsubH°	88.70 ± 2.50	kJ/mol	NIST
ΔvapH°	71.15	kJ/mol	Relay (1.0) Calculated Property
IE	[9.09; 9.25]	eV
IE	9.09 ± 0.07	eV	NIST
IE	9.25	eV	NIST
logPoct/wat	1.803		Crippen Calculated Property
McVol	125.050	ml/mol	McGowan Calculated Property
Inp	[1329.00; 1405.00]
Inp	1358.00		NIST
Inp	1329.00		NIST
Inp	1348.00		NIST
Inp	1366.00		NIST
Inp	1381.00		NIST
Inp	1383.00		NIST
Inp	1395.00		NIST
Inp	1404.00		NIST
Inp	1329.00		NIST
Inp	1405.00		NIST
Inp	1383.00		NIST
I	[1944.00; 1983.00]
I	1944.00		NIST
I	1962.00		NIST
I	1983.00		NIST
I	1944.00		NIST
Tfus	527.66	K	Relay (1.0) Calculated Property

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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[0.30; 11.94]	kJ/mol	[325.20; 567.30]
ΔfusH	0.30	kJ/mol	325.20	NIST
ΔfusH	3.74	kJ/mol	391.20	NIST
ΔfusH	11.94	kJ/mol	567.30	NIST
ΔfusS	[0.92; 9.56]	J/mol×K	[325.20; 391.20]
ΔfusS	0.92	J/mol×K	325.20	NIST
ΔfusS	9.56	J/mol×K	391.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.43; 508.22]	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			-1.44880e+02
Coefficient B			1.37790e+00
Coefficient C			-1.05400e-03
Coefficient D			3.29200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.43	J/mol×K	273.00	Calculated Property
Cp,gas	225.25	J/mol×K	353.78	Calculated Property
Cp,gas	281.87	J/mol×K	434.56	Calculated Property
Cp,gas	330.34	J/mol×K	515.33	Calculated Property
Cp,gas	371.70	J/mol×K	596.11	Calculated Property
Cp,gas	406.98	J/mol×K	676.89	Calculated Property
Cp,gas	437.23	J/mol×K	757.67	Calculated Property
Cp,gas	463.50	J/mol×K	838.44	Calculated Property
Cp,gas	486.81	J/mol×K	919.22	Calculated Property
Cp,gas	508.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053793; 0.0011705]	Pa×s	[305.10; 514.87]	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			-8.96856e+00
Coefficient B			1.14210e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			305.10
Temperature range, max.			514.87
η	0.0053793	Pa×s	305.10	Calculated Property
η	0.0041242	Pa×s	328.41	Calculated Property
η	0.0032753	Pa×s	351.72	Calculated Property
η	0.0026767	Pa×s	375.02	Calculated Property
η	0.0022398	Pa×s	398.33	Calculated Property
η	0.0019115	Pa×s	421.64	Calculated Property
η	0.0016587	Pa×s	444.95	Calculated Property
η	0.0014597	Pa×s	468.26	Calculated Property
η	0.0013003	Pa×s	491.56	Calculated Property
η	0.0011705	Pa×s	514.87	Calculated Property

Similar Compounds

Find more compounds similar to Adamantan-2-ol.

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

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