Chemical Properties of 1-Fluoroadamantane (CAS 768-92-3)

InChI

InChI=1S/C10H15F/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2

InChI Key

CPWSNJSGSXXVLD-UHFFFAOYSA-N

Formula

C10H15F

SMILES

FC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

154.22

CAS

768-92-3

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-331.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.81	kJ/mol	Joback Calculated Property
ΔvapH°	44.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-5.20		Relay (1.0) Calculated Property
logPoct/wat	2.925		Crippen Calculated Property
McVol	120.950	ml/mol	McGowan Calculated Property
Pc	3100.18	kPa	Joback Calculated Property
Inp	[1159.00; 1196.00]
Inp	1159.00		NIST
Inp	1159.00		NIST
Inp	1174.00		NIST
Inp	1184.00		NIST
Inp	1196.00		NIST
Inp	1159.00		NIST
Inp	1159.00		NIST
Ip	[1512.00; 1557.00]
Ip	1512.00		NIST
Ip	1512.00		NIST
Ip	1534.00		NIST
Ip	1557.00		NIST
Tboil	462.12	K	Relay (1.0) Calculated Property
Tc	719.10	K	Relay (1.0) Calculated Property
Tfus	525.00 ± 1.00	K	NIST

Cheméo can also estimate 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.94; 497.29]	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			-2.00010e+02
Coefficient B			1.67410e+00
Coefficient C			-1.62800e-03
Coefficient D			6.51200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.94	J/mol×K	273.00	Calculated Property
Cp,gas	217.33	J/mol×K	353.78	Calculated Property
Cp,gas	273.49	J/mol×K	434.56	Calculated Property
Cp,gas	319.48	J/mol×K	515.33	Calculated Property
Cp,gas	357.37	J/mol×K	596.11	Calculated Property
Cp,gas	389.22	J/mol×K	676.89	Calculated Property
Cp,gas	417.07	J/mol×K	757.67	Calculated Property
Cp,gas	442.99	J/mol×K	838.44	Calculated Property
Cp,gas	469.05	J/mol×K	919.22	Calculated Property
Cp,gas	497.29	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Fluoroadamantane.

Sources

• Cheméo Relay (1.0)
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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