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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4136		Relay (1.0) Calculated Property
ΔfG°	229.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-216.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.16	kJ/mol	Joback Calculated Property
ΔvapH°	64.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-6.61		Relay (1.0) 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	538.71	K	Relay (1.0) Calculated Property
Tc	774.90	K	Relay (1.0) Calculated Property
Tfus	387.11	K	Relay (1.0) Calculated Property
Vc	0.685	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• 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.