Chemical Properties of 3-(1-adamantyl)pentane

InChI

InChI=1S/C15H26/c1-3-14(4-2)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14H,3-10H2,1-2H3/t11-,12-,13?,15-/m0/s1

InChI Key

QHRWEUGZPFJFJT-VKXBSSMUSA-N

Formula

C15H26

SMILES

CCC(CC)C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

206.37

Other Names

• 1-(1-Ethylpropyl)adamantane

• 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.
• I : 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°	229.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-151.07	kJ/mol	Joback Calculated Property
ΔfusH°	18.16	kJ/mol	Joback Calculated Property
ΔvapH°	47.05	kJ/mol	Joback Calculated Property
log10WS	-4.58		Crippen Calculated Property
logPoct/wat	4.639		Crippen Calculated Property
McVol	189.630	ml/mol	McGowan Calculated Property
Pc	2023.58	kPa	Joback Calculated Property
Inp	[1539.00; 1581.00]
Inp	1539.00		NIST
Inp	1539.00		NIST
Inp	1552.00		NIST
Inp	1568.00		NIST
Inp	1581.00		NIST
I	[1744.00; 1787.00]
I	1744.00		NIST
I	1767.00		NIST
I	1787.00		NIST
I	1744.00		NIST
Tboil	562.22	K	Joback Calculated Property
Tc	773.10	K	Joback Calculated Property
Tfus	313.77	K	Joback Calculated Property
Vc	0.730	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.46; 642.48]	J/mol×K	[562.22; 773.10]
Cp,gas	521.46	J/mol×K	562.22	Joback Calculated Property
Cp,gas	544.87	J/mol×K	597.37	Joback Calculated Property
Cp,gas	566.74	J/mol×K	632.51	Joback Calculated Property
Cp,gas	587.25	J/mol×K	667.66	Joback Calculated Property
Cp,gas	606.59	J/mol×K	702.81	Joback Calculated Property
Cp,gas	624.94	J/mol×K	737.96	Joback Calculated Property
Cp,gas	642.48	J/mol×K	773.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(1-adamantyl)pentane.

Sources

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

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