Chemical Properties of 2-(1-adamantyl)propene

InChI

InChI=1S/C13H20/c1-9(2)13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12H,1,3-8H2,2H3

InChI Key

IATJIZFUHGLZBF-UHFFFAOYSA-N

Formula

C13H20

SMILES

C=C(C)C12CC3CC(CC(C3)C1)C2

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°	294.82	kJ/mol	Joback Calculated Property
ΔfH°gas	11.13	kJ/mol	Joback Calculated Property
ΔfusH°	13.91	kJ/mol	Joback Calculated Property
ΔvapH°	42.39	kJ/mol	Joback Calculated Property
log10WS	-3.84		Crippen Calculated Property
logPoct/wat	3.779		Crippen Calculated Property
McVol	157.150	ml/mol	McGowan Calculated Property
Pc	2520.12	kPa	Joback Calculated Property
Inp	[1362.00; 1402.00]
Inp	1362.00		NIST
Inp	1374.00		NIST
Inp	1389.00		NIST
Inp	1402.00		NIST
Inp	1362.00		NIST
I	[1618.00; 1666.00]
I	1618.00		NIST
I	1643.00		NIST
I	1666.00		NIST
Tboil	513.46	K	Joback Calculated Property
Tc	735.56	K	Joback Calculated Property
Tfus	290.51	K	Joback Calculated Property
Vc	0.606	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[398.31; 510.97]	J/mol×K	[513.46; 735.56]
Cp,gas	398.31	J/mol×K	513.46	Joback Calculated Property
Cp,gas	420.78	J/mol×K	550.48	Joback Calculated Property
Cp,gas	441.49	J/mol×K	587.49	Joback Calculated Property
Cp,gas	460.65	J/mol×K	624.51	Joback Calculated Property
Cp,gas	478.48	J/mol×K	661.52	Joback Calculated Property
Cp,gas	495.18	J/mol×K	698.54	Joback Calculated Property
Cp,gas	510.97	J/mol×K	735.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(1-adamantyl)propene.

Sources

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

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