Chemical Properties of tricyclo[3.3.1.1(3,7)]decane-2-carboxylic acid, methyl ester

InChI

InChI=1S/C12H18O2/c1-14-12(13)11-9-3-7-2-8(5-9)6-10(11)4-7/h7-11H,2-6H2,1H3

InChI Key

IRGQVHHWSAJAFS-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

COC(=O)C1C2CC3CC(C2)CC1C3

Molecular Weight¹

194.27

Other Names

• methyl tricyclo[3.3.1.1(3,7)]decane-2-carboxylate
• Adamantane-2-carboxylic acid, methyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-29.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-364.25	kJ/mol	Joback Calculated Property
ΔfusH°	24.07	kJ/mol	Joback Calculated Property
ΔvapH°	50.75	kJ/mol	Joback Calculated Property
log10WS	-2.18		Crippen Calculated Property
logPoct/wat	2.232		Crippen Calculated Property
McVol	154.800	ml/mol	McGowan Calculated Property
Pc	2563.69	kPa	Joback Calculated Property
Inp	[1467.00; 1507.00]
Inp	1467.00		NIST
Inp	1482.00		NIST
Inp	1494.00		NIST
Inp	1507.00		NIST
I	[1921.00; 1965.00]
I	1921.00		NIST
I	1944.00		NIST
I	1965.00		NIST
Tboil	565.40	K	Joback Calculated Property
Tc	779.60	K	Joback Calculated Property
Tfus	338.98	K	Joback Calculated Property
Vc	0.593	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[426.54; 528.57]	J/mol×K	[565.40; 779.60]
Cp,gas	426.54	J/mol×K	565.40	Joback Calculated Property
Cp,gas	446.47	J/mol×K	601.10	Joback Calculated Property
Cp,gas	465.13	J/mol×K	636.80	Joback Calculated Property
Cp,gas	482.59	J/mol×K	672.50	Joback Calculated Property
Cp,gas	498.93	J/mol×K	708.20	Joback Calculated Property
Cp,gas	514.23	J/mol×K	743.90	Joback Calculated Property
Cp,gas	528.57	J/mol×K	779.60	Joback Calculated Property
η	[0.0020614; 0.0021129]	Pa×s	[338.98; 565.40]
η	0.0020614	Pa×s	338.98	Joback Calculated Property
η	0.0020742	Pa×s	376.72	Joback Calculated Property
η	0.0020847	Pa×s	414.45	Joback Calculated Property
η	0.0020935	Pa×s	452.19	Joback Calculated Property
η	0.0021009	Pa×s	489.93	Joback Calculated Property
η	0.0021074	Pa×s	527.66	Joback Calculated Property
η	0.0021129	Pa×s	565.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to tricyclo[3.3.1.1(3,7)]decane-2-carboxylic acid, methyl ester.

Sources

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

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