Chemical Properties of 2-isobutylideneadamantane

InChI

InChI=1S/C14H22/c1-9(2)3-14-12-5-10-4-11(7-12)8-13(14)6-10/h3,9-13H,4-8H2,1-2H3/b14-3-

InChI Key

AJPQLQKXRCBRCK-BNNQUZSASA-N

Formula

C14H22

SMILES

CC(C)C=C1C2CC3CC(C2)CC1C3

Molecular Weight¹

190.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.19	kJ/mol	Joback Calculated Property
logPoct/wat	4.025		Crippen Calculated Property
McVol	171.240	ml/mol	McGowan Calculated Property
Inp	[1370.00; 1402.00]
Inp	1370.00		NIST
Inp	1381.00		NIST
Inp	1391.00		NIST
Inp	1402.00		NIST
Ip	[1534.00; 1570.00]
Ip	1534.00		NIST
Ip	1554.00		NIST
Ip	1570.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[221.52; 655.81]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.50330e+02
Coefficient B			1.67884e+00
Coefficient C			-1.26830e-03
Coefficient D			3.95600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	221.52	J/mol×K	273.00	Calculated Property
Cp,gas	302.38	J/mol×K	353.78	Calculated Property
Cp,gas	372.18	J/mol×K	434.56	Calculated Property
Cp,gas	432.15	J/mol×K	515.33	Calculated Property
Cp,gas	483.56	J/mol×K	596.11	Calculated Property
Cp,gas	527.64	J/mol×K	676.89	Calculated Property
Cp,gas	565.66	J/mol×K	757.67	Calculated Property
Cp,gas	598.86	J/mol×K	838.44	Calculated Property
Cp,gas	628.49	J/mol×K	919.22	Calculated Property
Cp,gas	655.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013449; 0.0014020]	Pa×s	[288.96; 531.13]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-6.52024e+00
Coefficient B			-2.63600e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			288.96
Temperature range, max.			531.13
η	0.0013449	Pa×s	288.96	Calculated Property
η	0.0013554	Pa×s	315.87	Calculated Property
η	0.0013643	Pa×s	342.77	Calculated Property
η	0.0013719	Pa×s	369.68	Calculated Property
η	0.0013786	Pa×s	396.59	Calculated Property
η	0.0013844	Pa×s	423.50	Calculated Property
η	0.0013896	Pa×s	450.40	Calculated Property
η	0.0013942	Pa×s	477.31	Calculated Property
η	0.0013983	Pa×s	504.22	Calculated Property
η	0.0014020	Pa×s	531.13	Calculated Property

Similar Compounds

Find more compounds similar to 2-isobutylideneadamantane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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