Chemical Properties of 1-n-butyladamantane (CAS 14449-41-3)

InChI

InChI=1S/C14H24/c1-2-3-4-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,2-10H2,1H3

InChI Key

AZCUIXHZJHFUFI-UHFFFAOYSA-N

Formula

C14H24

SMILES

CCCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

192.34

CAS

14449-41-3

Other Names

• 1-Butyladamantane

• 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).
• 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.
• 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
ΔfG°	223.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-125.15	kJ/mol	Joback Calculated Property
ΔfusH°	19.09	kJ/mol	Joback Calculated Property
ΔvapH°	45.21	kJ/mol	Joback Calculated Property
log10WS	-4.40		Crippen Calculated Property
logPoct/wat	4.393		Crippen Calculated Property
McVol	175.540	ml/mol	McGowan Calculated Property
Pc	2193.84	kPa	Joback Calculated Property
Inp	[1424.00; 1479.00]
Inp	1443.00		NIST
Inp	1424.00		NIST
Inp	1479.00		NIST
Tboil	539.78	K	Joback Calculated Property
Tc	749.54	K	Joback Calculated Property
Tfus	317.50	K	Joback Calculated Property
Vc	0.679	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[468.73; 585.31]	J/mol×K	[539.78; 749.54]
Cp,gas	468.73	J/mol×K	539.78	Joback Calculated Property
Cp,gas	491.44	J/mol×K	574.74	Joback Calculated Property
Cp,gas	512.60	J/mol×K	609.70	Joback Calculated Property
Cp,gas	532.39	J/mol×K	644.66	Joback Calculated Property
Cp,gas	550.99	J/mol×K	679.62	Joback Calculated Property
Cp,gas	568.57	J/mol×K	714.58	Joback Calculated Property
Cp,gas	585.31	J/mol×K	749.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-n-butyladamantane.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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