Chemical Properties of 1-(3-methylphenyl)-adamantane

InChI

InChI=1S/C17H22/c1-12-3-2-4-16(5-12)17-9-13-6-14(10-17)8-15(7-13)11-17/h2-5,13-15H,6-11H2,1H3/t13-,14-,15?,17-/m0/s1

InChI Key

DEDRRRFOMKBUOO-QERPGXGDSA-N

Formula

C17H22

SMILES

Cc1cccc(C23CC4CC(CC(C4)C2)C3)c1

Molecular Weight¹

226.36

• 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.
• 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	0.4227		Relay (1.0) Calculated Property
ΔfG°	351.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-64.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.52	kJ/mol	Joback Calculated Property
ΔvapH°	74.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-6.26		Relay (1.0) Calculated Property
logPoct/wat	4.463		Crippen Calculated Property
McVol	194.050	ml/mol	McGowan Calculated Property
Pc	2252.53	kPa	Joback Calculated Property
Inp	[1854.00; 1854.00]
Inp	1854.00		NIST
Inp	1854.00		NIST
Tboil	605.29	K	Relay (1.0) Calculated Property
Tc	849.36	K	Relay (1.0) Calculated Property
Tfus	432.68	K	Relay (1.0) Calculated Property
Vc	0.726	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[558.71; 678.46]	J/mol×K	[640.08; 885.25]
Cp,gas	558.71	J/mol×K	640.08	Joback Calculated Property
Cp,gas	581.57	J/mol×K	680.94	Joback Calculated Property
Cp,gas	602.87	J/mol×K	721.80	Joback Calculated Property
Cp,gas	622.91	J/mol×K	762.67	Joback Calculated Property
Cp,gas	641.99	J/mol×K	803.53	Joback Calculated Property
Cp,gas	660.41	J/mol×K	844.39	Joback Calculated Property
Cp,gas	678.46	J/mol×K	885.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(3-methylphenyl)-adamantane.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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