Chemical Properties of 1,3,4-Trimethyladamantane

InChI

InChI=1S/C13H22/c1-9-11-4-10-5-12(2,7-11)8-13(9,3)6-10/h9-11H,4-8H2,1-3H3

InChI Key

BWGAFPQRFLNCLN-UHFFFAOYSA-N

Formula

C13H22

SMILES

CC1C2CC3CC(C)(C2)CC1(C)C3

Molecular Weight¹

178.31

Other Names

• 1,3,4-trimethyladamantane, trans

• 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°	202.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-109.61	kJ/mol	Joback Calculated Property
ΔfusH°	11.28	kJ/mol	Joback Calculated Property
ΔvapH°	41.52	kJ/mol	Joback Calculated Property
log10WS	-3.74		Crippen Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	161.450	ml/mol	McGowan Calculated Property
Pc	2433.84	kPa	Joback Calculated Property
Inp	[1221.00; 1221.00]
Inp	1221.00		NIST
Inp	1221.00		NIST
Tboil	512.47	K	Joback Calculated Property
Tc	734.57	K	Joback Calculated Property
Tfus	325.89	K	Joback Calculated Property
Vc	0.621	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.67; 534.37]	J/mol×K	[512.47; 734.57]
Cp,gas	417.67	J/mol×K	512.47	Joback Calculated Property
Cp,gas	440.84	J/mol×K	549.49	Joback Calculated Property
Cp,gas	462.14	J/mol×K	586.50	Joback Calculated Property
Cp,gas	481.85	J/mol×K	623.52	Joback Calculated Property
Cp,gas	500.27	J/mol×K	660.54	Joback Calculated Property
Cp,gas	517.68	J/mol×K	697.56	Joback Calculated Property
Cp,gas	534.37	J/mol×K	734.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3,4-Trimethyladamantane.

Sources

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

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