Chemical Properties of 2-n-butyladamantane (CAS 14449-43-5)

InChI

InChI=1S/C14H24/c1-2-3-4-14-12-6-10-5-11(8-12)9-13(14)7-10/h10-14H,2-9H2,1H3

InChI Key

ZOQLCQXGZZFWAF-UHFFFAOYSA-N

Formula

C14H24

SMILES

CCCCC1C2CC3CC(C2)CC1C3

Molecular Weight¹

192.34

CAS

14449-43-5

Other Names

• 2-Butyladamantane

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.46	kJ/mol	Joback Calculated Property
IE	9.14	eV	Relay (1.0) Calculated Property
logPoct/wat	4.249		Crippen Calculated Property
McVol	175.540	ml/mol	McGowan Calculated Property
Inp	[1455.00; 1499.00]
Inp	1499.00		NIST
Inp	1455.00		NIST
Inp	1461.00		NIST
Inp	1465.00		NIST
Inp	1472.00		NIST
Inp	1461.00		NIST
Inp	1465.00		NIST
Inp	1468.00		NIST
Inp	1465.00		NIST
Inp	1478.00		NIST
Inp	1489.00		NIST
Inp	1499.00		NIST
Inp	1465.00		NIST
Inp	1465.00		NIST
Ip	[1651.00; 1692.00]
Ip	1651.00		NIST
Ip	1672.00		NIST
Ip	1692.00		NIST
Ip	1651.00		NIST
Tboil	536.53	K	Relay (1.0) Calculated Property
Tfus	382.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[231.78; 695.91]	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			-1.53807e+02
Coefficient B			1.72392e+00
Coefficient C			-1.24120e-03
Coefficient D			3.67000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	231.78	J/mol×K	273.00	Calculated Property
Cp,gas	316.98	J/mol×K	353.78	Calculated Property
Cp,gas	391.06	J/mol×K	434.56	Calculated Property
Cp,gas	455.19	J/mol×K	515.33	Calculated Property
Cp,gas	510.52	J/mol×K	596.11	Calculated Property
Cp,gas	558.22	J/mol×K	676.89	Calculated Property
Cp,gas	599.45	J/mol×K	757.67	Calculated Property
Cp,gas	635.37	J/mol×K	838.44	Calculated Property
Cp,gas	667.14	J/mol×K	919.22	Calculated Property
Cp,gas	695.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012460; 0.0016897]	Pa×s	[289.36; 515.63]	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			-5.99370e+00
Coefficient B			-2.00850e+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.			289.36
Temperature range, max.			515.63
η	0.0012460	Pa×s	289.36	Calculated Property
η	0.0013171	Pa×s	314.50	Calculated Property
η	0.0013808	Pa×s	339.64	Calculated Property
η	0.0014383	Pa×s	364.78	Calculated Property
η	0.0014903	Pa×s	389.93	Calculated Property
η	0.0015375	Pa×s	415.07	Calculated Property
η	0.0015806	Pa×s	440.21	Calculated Property
η	0.0016200	Pa×s	465.35	Calculated Property
η	0.0016563	Pa×s	490.49	Calculated Property
η	0.0016897	Pa×s	515.63	Calculated Property

Similar Compounds

Find more compounds similar to 2-n-butyladamantane.

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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