Chemical Properties of 2-(2-adamantyl)propene

InChI

InChI=1S/C13H20/c1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9/h9-13H,1,3-7H2,2H3

InChI Key

VLJRVQFLGRFPSF-UHFFFAOYSA-N

Formula

C13H20

SMILES

C=C(C)C1C2CC3CC(C2)CC1C3

Molecular Weight¹

176.30

• 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).
• 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°	292.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-24.45	kJ/mol	Joback Calculated Property
ΔfusH°	21.28	kJ/mol	Joback Calculated Property
ΔvapH°	43.23	kJ/mol	Joback Calculated Property
log10WS	-3.59		Crippen Calculated Property
logPoct/wat	3.635		Crippen Calculated Property
McVol	157.150	ml/mol	McGowan Calculated Property
Pc	2333.78	kPa	Joback Calculated Property
Inp	[1382.00; 1422.00]
Inp	1382.00		NIST
Inp	1394.00		NIST
Inp	1409.00		NIST
Inp	1422.00		NIST
I	[1643.00; 1691.00]
I	1643.00		NIST
I	1667.00		NIST
I	1691.00		NIST
Tboil	508.55	K	Joback Calculated Property
Tc	721.37	K	Joback Calculated Property
Tfus	262.37	K	Joback Calculated Property
Vc	0.607	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[398.36; 514.78]	J/mol×K	[508.55; 721.37]
Cp,gas	398.36	J/mol×K	508.55	Joback Calculated Property
Cp,gas	421.21	J/mol×K	544.02	Joback Calculated Property
Cp,gas	442.55	J/mol×K	579.49	Joback Calculated Property
Cp,gas	462.48	J/mol×K	614.96	Joback Calculated Property
Cp,gas	481.09	J/mol×K	650.43	Joback Calculated Property
Cp,gas	498.49	J/mol×K	685.90	Joback Calculated Property
Cp,gas	514.78	J/mol×K	721.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(2-adamantyl)propene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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