Chemical Properties of 1,3-Difluoroadamantane

InChI

InChI=1S/C10H14F2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6H2/t7-,8+,9+,10-

InChI Key

BWHJRYOYZZDMLO-FIRGSJFUSA-N

Formula

C10H14F2

SMILES

FC12CC3CC(C1)CC(F)(C3)C2

Molecular Weight¹

172.22

• ω : Acentric Factor.
• 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_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.
• 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
ω	0.3769		Relay (... Calculated Property
ΔfG°	-204.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-491.60	kJ/mol	Relay (... Calculated Property
ΔfusH°	8.60	kJ/mol	Joback Calculated Property
ΔvapH°	44.56	kJ/mol	Relay (... Calculated Property
IE	9.51	eV	Relay (... Calculated Property
log10WS	-4.94		Relay (... Calculated Property
logPoct/wat	3.017		Crippen Calculated Property
McVol	122.720	ml/mol	McGowan Calculated Property
Pc	3100.18	kPa	Joback Calculated Property
Inp	[1135.00; 1135.00]
Inp	1135.00		NIST
Inp	1135.00		NIST
Tboil	470.28	K	Relay (... Calculated Property
Tc	727.40	K	Relay (... Calculated Property
Tfus	446.40	K	Relay (... Calculated Property
Vc	0.487	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.48; 386.13]	J/mol×K	[447.04; 655.72]
Cp,gas	290.48	J/mol×K	447.04	Joback Calculated Property
Cp,gas	310.44	J/mol×K	481.82	Joback Calculated Property
Cp,gas	328.47	J/mol×K	516.60	Joback Calculated Property
Cp,gas	344.81	J/mol×K	551.38	Joback Calculated Property
Cp,gas	359.71	J/mol×K	586.16	Joback Calculated Property
Cp,gas	373.40	J/mol×K	620.94	Joback Calculated Property
Cp,gas	386.13	J/mol×K	655.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Difluoroadamantane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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