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

InChI

InChI=1S/C12H18/c1-2-12(1)10-4-8-3-9(6-10)7-11(12)5-8/h8-11H,1-7H2

InChI Key

ZYIPFTBWBGOVBV-UHFFFAOYSA-N

Formula

C12H18

SMILES

C1C2CC3CC1CC(C2)C31CC1

Molecular Weight¹

162.27

• 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°	279.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-4.91	kJ/mol	Joback Calculated Property
ΔfusH°	14.15	kJ/mol	Joback Calculated Property
ΔvapH°	40.50	kJ/mol	Joback Calculated Property
log10WS	-3.22		Crippen Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	136.500	ml/mol	McGowan Calculated Property
Pc	2960.12	kPa	Joback Calculated Property
Inp	[1257.00; 1299.00]
Inp	1257.00		NIST
Inp	1272.00		NIST
Inp	1284.00		NIST
Inp	1299.00		NIST
I	[1477.00; 1525.00]
I	1477.00		NIST
I	1502.00		NIST
I	1525.00		NIST
I	1477.00		NIST
Tboil	496.49	K	Joback Calculated Property
Tc	722.10	K	Joback Calculated Property
Tfus	316.42	K	Joback Calculated Property
Vc	0.532	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.23; 465.02]	J/mol×K	[496.49; 722.10]
Cp,gas	354.23	J/mol×K	496.49	Joback Calculated Property
Cp,gas	376.85	J/mol×K	534.09	Joback Calculated Property
Cp,gas	397.46	J/mol×K	571.69	Joback Calculated Property
Cp,gas	416.33	J/mol×K	609.29	Joback Calculated Property
Cp,gas	433.71	J/mol×K	646.90	Joback Calculated Property
Cp,gas	449.85	J/mol×K	684.50	Joback Calculated Property
Cp,gas	465.02	J/mol×K	722.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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