Chemical Properties of 2-fluoroadamantane (CAS 16668-83-0)

InChI

InChI=1S/C10H15F/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2

InChI Key

SVIIPBADUQGZCF-UHFFFAOYSA-N

Formula

C10H15F

SMILES

FC1C2CC3CC(C2)CC1C3

Molecular Weight¹

154.22

CAS

16668-83-0

• 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.
• I : 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	-311.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.18	kJ/mol	Joback Calculated Property
ΔvapH°	47.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.46	eV	NIST
logPoct/wat	2.781		Crippen Calculated Property
McVol	120.950	ml/mol	McGowan Calculated Property
Inp	[1182.00; 1223.00]
Inp	1182.00		NIST
Inp	1182.00		NIST
Inp	1197.00		NIST
Inp	1210.00		NIST
Inp	1223.00		NIST
Inp	1182.00		NIST
Inp	1182.00		NIST
I	[1521.00; 1566.00]
I	1521.00		NIST
I	1521.00		NIST
I	1544.00		NIST
I	1566.00		NIST
Tfus	486.08	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
Cp,gas	[280.41; 384.62]	J/mol×K	[442.62; 644.36]
Cp,gas	280.41	J/mol×K	442.62	Joback Calculated Property
Cp,gas	300.79	J/mol×K	476.24	Joback Calculated Property
Cp,gas	319.86	J/mol×K	509.87	Joback Calculated Property
Cp,gas	337.71	J/mol×K	543.49	Joback Calculated Property
Cp,gas	354.40	J/mol×K	577.11	Joback Calculated Property
Cp,gas	370.01	J/mol×K	610.73	Joback Calculated Property
Cp,gas	384.62	J/mol×K	644.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-fluoroadamantane.

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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