Chemical Properties of Diamantan-3-ol (CAS 30545-24-5)

InChI

InChI=1S/C14H20O/c15-14-7-4-9-8-1-6-2-11(9)13(14)12(3-6)10(8)5-7/h6-15H,1-5H2

InChI Key

WXZXBNQJFLBGEB-UHFFFAOYSA-N

Formula

C14H20O

SMILES

OC1C2CC3C4CC5CC3C1C(C5)C4C2

Molecular Weight¹

204.31

CAS

30545-24-5

• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-7953.70 ± 1.50	kJ/mol	NIST
ΔfH°gas	-297.60 ± 4.60	kJ/mol	NIST
ΔfH°solid	-413.80 ± 1.50	kJ/mol	NIST
ΔfusH°	33.16	kJ/mol	Joback Calculated Property
ΔsubH°	[116.10; 116.20]	kJ/mol
ΔsubH°	116.10 ± 4.40	kJ/mol	NIST
ΔsubH°	116.20	kJ/mol	NIST
ΔvapH°	91.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
logPoct/wat	2.295		Crippen Calculated Property
McVol	159.690	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.72; 683.82]	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			-2.26880e+02
Coefficient B			2.02590e+00
Coefficient C			-1.69400e-03
Coefficient D			5.78800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.72	J/mol×K	273.00	Calculated Property
Cp,gas	303.45	J/mol×K	353.78	Calculated Property
Cp,gas	381.09	J/mol×K	434.56	Calculated Property
Cp,gas	446.47	J/mol×K	515.33	Calculated Property
Cp,gas	501.43	J/mol×K	596.11	Calculated Property
Cp,gas	547.78	J/mol×K	676.89	Calculated Property
Cp,gas	587.37	J/mol×K	757.67	Calculated Property
Cp,gas	622.02	J/mol×K	838.44	Calculated Property
Cp,gas	653.56	J/mol×K	919.22	Calculated Property
Cp,gas	683.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0082175; 0.0119894]	Pa×s	[384.62; 577.47]	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			-3.67035e+00
Coefficient B			-4.35060e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			384.62
Temperature range, max.			577.47
η	0.0082175	Pa×s	384.62	Calculated Property
η	0.0087230	Pa×s	406.05	Calculated Property
η	0.0092043	Pa×s	427.48	Calculated Property
η	0.0096625	Pa×s	448.90	Calculated Property
η	0.0100987	Pa×s	470.33	Calculated Property
η	0.0105140	Pa×s	491.76	Calculated Property
η	0.0109097	Pa×s	513.19	Calculated Property
η	0.0112868	Pa×s	534.62	Calculated Property
η	0.0116463	Pa×s	556.05	Calculated Property
η	0.0119894	Pa×s	577.47	Calculated Property

Similar Compounds

Find more compounds similar to Diamantan-3-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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