Chemical Properties of Acetyldamantane

InChI

InChI=1S/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3/t9-,10+,11-,12-

InChI Key

DACIGVIOAFXPHW-CDECOKDKSA-N

Formula

C12H18O

SMILES

CC(=O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2

Molecular Weight¹

178.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-276.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.51	kJ/mol	Joback Calculated Property
ΔvapH°	53.50	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
logPoct/wat	2.792		Crippen Calculated Property
McVol	148.930	ml/mol	McGowan Calculated Property
Inp	[1888.00; 1888.00]
Inp	1888.00		NIST
Inp	1888.00		NIST
Tfus	400.98	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[184.09; 582.42]	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			-2.00560e+02
Coefficient B			1.82432e+00
Coefficient C			-1.70170e-03
Coefficient D			6.60360e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	184.09	J/mol×K	273.00	Calculated Property
Cp,gas	261.10	J/mol×K	353.78	Calculated Property
Cp,gas	325.05	J/mol×K	434.56	Calculated Property
Cp,gas	378.03	J/mol×K	515.33	Calculated Property
Cp,gas	422.12	J/mol×K	596.11	Calculated Property
Cp,gas	459.42	J/mol×K	676.89	Calculated Property
Cp,gas	492.01	J/mol×K	757.67	Calculated Property
Cp,gas	521.98	J/mol×K	838.44	Calculated Property
Cp,gas	551.42	J/mol×K	919.22	Calculated Property
Cp,gas	582.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetyldamantane.

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.
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