Chemical Properties of 2-isobutyladamantane

InChI

InChI=1S/C14H24/c1-9(2)3-14-12-5-10-4-11(7-12)8-13(14)6-10/h9-14H,3-8H2,1-2H3/t10-,11?,12+,13-,14?

InChI Key

MEVUXHARANYDNT-PWHQIARISA-N

Formula

C14H24

SMILES

CC(C)CC1C2CC3CC(C2)CC1C3

Molecular Weight¹

192.34

• 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).
• IE : Ionization energy (eV).
• 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°	22.94	kJ/mol	Joback Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
logPoct/wat	4.105		Crippen Calculated Property
McVol	175.540	ml/mol	McGowan Calculated Property
Inp	[1408.00; 1473.00]
Inp	1453.00		NIST
Inp	Outlier 1473.00		NIST
Inp	1408.00		NIST
Inp	1415.00		NIST
Inp	1416.00		NIST
Inp	1423.00		NIST
Inp	1415.00		NIST
Inp	1423.00		NIST
Inp	1432.00		NIST
Inp	1416.00		NIST
Inp	1429.00		NIST
Inp	1440.00		NIST
Inp	1453.00		NIST
Ip	[1581.00; 1623.00]
Ip	1581.00		NIST
Ip	1604.00		NIST
Ip	1623.00		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, 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	[231.47; 696.45]	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			-1.55489e+02
Coefficient B			1.72984e+00
Coefficient C			-1.24440e-03
Coefficient D			3.66500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.47	J/mol×K	273.00	Calculated Property
Cp,gas	316.97	J/mol×K	353.78	Calculated Property
Cp,gas	391.31	J/mol×K	434.56	Calculated Property
Cp,gas	455.64	J/mol×K	515.33	Calculated Property
Cp,gas	511.13	J/mol×K	596.11	Calculated Property
Cp,gas	558.93	J/mol×K	676.89	Calculated Property
Cp,gas	600.20	J/mol×K	757.67	Calculated Property
Cp,gas	636.11	J/mol×K	838.44	Calculated Property
Cp,gas	667.80	J/mol×K	919.22	Calculated Property
Cp,gas	696.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012042; 0.0015929]	Pa×s	[274.36; 518.38]	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			-6.12770e+00
Coefficient B			-1.63030e+02
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.			274.36
Temperature range, max.			518.38
η	0.0012042	Pa×s	274.36	Calculated Property
η	0.0012703	Pa×s	301.47	Calculated Property
η	0.0013283	Pa×s	328.59	Calculated Property
η	0.0013795	Pa×s	355.70	Calculated Property
η	0.0014250	Pa×s	382.81	Calculated Property
η	0.0014657	Pa×s	409.93	Calculated Property
η	0.0015023	Pa×s	437.04	Calculated Property
η	0.0015354	Pa×s	464.15	Calculated Property
η	0.0015655	Pa×s	491.27	Calculated Property
η	0.0015929	Pa×s	518.38	Calculated Property

Similar Compounds

Find more compounds similar to 2-isobutyladamantane.

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

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.