Chemical Properties of 2'-methylspiro[adamantane-2,1'-cyclopropane]

InChI

InChI=1S/C13H20/c1-8-7-13(8)11-3-9-2-10(5-11)6-12(13)4-9/h8-12H,2-7H2,1H3

InChI Key

SOMKKEUMGXBUBA-UHFFFAOYSA-N

Formula

C13H20

SMILES

CC1CC12C1CC3CC(C1)CC2C3

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°	280.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-45.89	kJ/mol	Joback Calculated Property
ΔfusH°	17.81	kJ/mol	Joback Calculated Property
ΔvapH°	42.41	kJ/mol	Joback Calculated Property
log10WS	-3.39		Crippen Calculated Property
logPoct/wat	3.469		Crippen Calculated Property
McVol	150.590	ml/mol	McGowan Calculated Property
Pc	2584.59	kPa	Joback Calculated Property
Inp	[1332.00; 1373.00]
Inp	1332.00		NIST
Inp	1346.00		NIST
Inp	1358.00		NIST
Inp	1373.00		NIST
Inp	1332.00		NIST
I	[1542.00; 1588.00]
I	1542.00		NIST
I	1567.00		NIST
I	1588.00		NIST
Tboil	514.70	K	Joback Calculated Property
Tc	736.32	K	Joback Calculated Property
Tfus	323.45	K	Joback Calculated Property
Vc	0.588	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[403.79; 520.06]	J/mol×K	[514.70; 736.32]
Cp,gas	403.79	J/mol×K	514.70	Joback Calculated Property
Cp,gas	427.10	J/mol×K	551.64	Joback Calculated Property
Cp,gas	448.52	J/mol×K	588.57	Joback Calculated Property
Cp,gas	468.29	J/mol×K	625.51	Joback Calculated Property
Cp,gas	486.64	J/mol×K	662.44	Joback Calculated Property
Cp,gas	503.82	J/mol×K	699.38	Joback Calculated Property
Cp,gas	520.06	J/mol×K	736.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2'-methylspiro[adamantane-2,1'-cyclopropane].

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.