Chemical Properties of 2-isopropylideneadamantane

InChI

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

InChI Key

WMXHJGRQXBTIFH-UHFFFAOYSA-N

Formula

C13H20

SMILES

CC(C)=C1C2CC3CC(C2)CC1C3

Molecular Weight¹

176.30

• 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.
• 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
ω	0.3222		Relay (1.0) Calculated Property
ΔfG°	257.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-82.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.82	kJ/mol	Joback Calculated Property
ΔvapH°	56.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-5.59		Relay (1.0) Calculated Property
logPoct/wat	3.779		Crippen Calculated Property
McVol	157.150	ml/mol	McGowan Calculated Property
Pc	2379.54	kPa	Joback Calculated Property
Inp	[1349.00; 1381.00]
Inp	1349.00		NIST
Inp	1359.00		NIST
Inp	1371.00		NIST
Inp	1381.00		NIST
I	[1554.00; 1593.00]
I	1554.00		NIST
I	1554.00		NIST
I	1574.00		NIST
I	1593.00		NIST
Tboil	523.74	K	Relay (1.0) Calculated Property
Tc	759.89	K	Relay (1.0) Calculated Property
Tfus	483.46	K	Relay (1.0) Calculated Property
Vc	0.574	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[401.32; 511.81]	J/mol×K	[523.18; 738.71]
Cp,gas	401.32	J/mol×K	523.18	Joback Calculated Property
Cp,gas	423.03	J/mol×K	559.10	Joback Calculated Property
Cp,gas	443.27	J/mol×K	595.02	Joback Calculated Property
Cp,gas	462.17	J/mol×K	630.94	Joback Calculated Property
Cp,gas	479.82	J/mol×K	666.87	Joback Calculated Property
Cp,gas	496.33	J/mol×K	702.79	Joback Calculated Property
Cp,gas	511.81	J/mol×K	738.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-isopropylideneadamantane.

Sources

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

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