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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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 : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-4.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-238.70	kJ/mol	Joback Calculated Property
ΔfusH°	11.81	kJ/mol	Joback Calculated Property
ΔvapH°	35.49	kJ/mol	Joback Calculated Property
log10WS	-2.93		Crippen 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
I	[1512.00; 1557.00]
I	1512.00		NIST
I	1512.00		NIST
I	1534.00		NIST
I	1557.00		NIST
Tboil	447.53	K	Joback Calculated Property
Tc	658.65	K	Joback Calculated Property
Tfus	525.00 ± 1.00	K	NIST
Vc	0.473	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[281.51; 382.45]	J/mol×K	[447.53; 658.65]
Cp,gas	281.51	J/mol×K	447.53	Joback Calculated Property
Cp,gas	302.00	J/mol×K	482.72	Joback Calculated Property
Cp,gas	320.80	J/mol×K	517.90	Joback Calculated Property
Cp,gas	338.08	J/mol×K	553.09	Joback Calculated Property
Cp,gas	354.00	J/mol×K	588.28	Joback Calculated Property
Cp,gas	368.73	J/mol×K	623.47	Joback Calculated Property
Cp,gas	382.45	J/mol×K	658.65	Joback Calculated Property
ΔfusH	1.50	kJ/mol	221.60	NIST

Similar Compounds

Find more compounds similar to 1-Fluoroadamantane.

Sources

• 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.