Chemical Properties of 2-isopropyladamantane

InChI

InChI=1S/C13H22/c1-8(2)13-11-4-9-3-10(6-11)7-12(13)5-9/h8-13H,3-7H2,1-2H3/t9-,10?,11+,12-,13?

InChI Key

GNFZEYQQRJBGMB-VNAIHZQWSA-N

Formula

C13H22

SMILES

CC(C)C1C2CC3CC(C2)CC1C3

Molecular Weight¹

178.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-192.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.35	kJ/mol	Joback Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
logPoct/wat	3.715		Crippen Calculated Property
McVol	161.450	ml/mol	McGowan Calculated Property
Inp	[1317.00; 1386.00]
Inp	1349.00		NIST
Inp	1317.00		NIST
Inp	1333.00		NIST
Inp	1342.00		NIST
Inp	1317.00		NIST
Inp	1333.00		NIST
Inp	1342.00		NIST
Inp	1349.00		NIST
Inp	1360.00		NIST
Inp	1374.00		NIST
Inp	1386.00		NIST
Inp	1349.00		NIST
Inp	1333.00		NIST
Inp	1386.00		NIST
Ip	[1540.00; 1582.00]
Ip	1540.00		NIST
Ip	1561.00		NIST
Ip	1582.00		NIST
Ip	1540.00		NIST
Tfus	431.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[210.26; 644.86]	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			-1.54580e+02
Coefficient B			1.63484e+00
Coefficient C			-1.19000e-03
Coefficient D			3.54600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.26	J/mol×K	273.00	Calculated Property
Cp,gas	290.55	J/mol×K	353.78	Calculated Property
Cp,gas	360.23	J/mol×K	434.56	Calculated Property
Cp,gas	420.41	J/mol×K	515.33	Calculated Property
Cp,gas	472.22	J/mol×K	596.11	Calculated Property
Cp,gas	516.77	J/mol×K	676.89	Calculated Property
Cp,gas	555.19	J/mol×K	757.67	Calculated Property
Cp,gas	588.59	J/mol×K	838.44	Calculated Property
Cp,gas	618.11	J/mol×K	919.22	Calculated Property
Cp,gas	644.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009284; 0.0014823]	Pa×s	[263.09; 504.58]	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			-6.00443e+00
Coefficient B			-2.57190e+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.			263.09
Temperature range, max.			504.58
η	0.0009284	Pa×s	263.09	Calculated Property
η	0.0010164	Pa×s	289.92	Calculated Property
η	0.0010957	Pa×s	316.76	Calculated Property
η	0.0011674	Pa×s	343.59	Calculated Property
η	0.0012325	Pa×s	370.42	Calculated Property
η	0.0012916	Pa×s	397.25	Calculated Property
η	0.0013456	Pa×s	424.09	Calculated Property
η	0.0013951	Pa×s	450.92	Calculated Property
η	0.0014405	Pa×s	477.75	Calculated Property
η	0.0014823	Pa×s	504.58	Calculated Property

Similar Compounds

Find more compounds similar to 2-isopropyladamantane.

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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