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

• 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°	351.99	kJ/mol	Joback Calculated Property
ΔfH°gas	37.99	kJ/mol	Joback Calculated Property
ΔfusH°	20.52	kJ/mol	Joback Calculated Property
ΔvapH°	54.83	kJ/mol	Joback Calculated Property
log10WS	-4.73		Crippen 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	640.08	K	Joback Calculated Property
Tc	885.25	K	Joback Calculated Property
Tfus	390.25	K	Joback Calculated Property
Vc	0.740	m3/kmol	Joback 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

• 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.