Chemical Properties of Bicyclo[2.2.2]octan-1-carboxylic acid, methyl ester

InChI

InChI=1S/C10H16O2/c1-12-9(11)10-5-2-8(3-6-10)4-7-10/h8H,2-7H2,1H3

InChI Key

ZZQHNCFQLQSTAS-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

COC(=O)C12CCC(CC1)CC2

Molecular Weight¹

168.23

• 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.
• 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°	-108.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-346.01	kJ/mol	Joback Calculated Property
ΔfusH°	10.21	kJ/mol	Joback Calculated Property
ΔvapH°	46.03	kJ/mol	Joback Calculated Property
log10WS	-2.18		Crippen Calculated Property
logPoct/wat	2.130		Crippen Calculated Property
McVol	137.480	ml/mol	McGowan Calculated Property
Pc	3166.83	kPa	Joback Calculated Property
Inp	[1247.00; 1247.00]
Inp	1247.00		NIST
Inp	1247.00		NIST
I	[1631.00; 1631.00]
I	1631.00		NIST
I	1631.00		NIST
Tboil	526.75	K	Joback Calculated Property
Tc	749.18	K	Joback Calculated Property
Tfus	327.36	K	Joback Calculated Property
Vc	0.515	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[340.63; 431.55]	J/mol×K	[526.75; 749.18]
Cp,gas	340.63	J/mol×K	526.75	Joback Calculated Property
Cp,gas	358.44	J/mol×K	563.82	Joback Calculated Property
Cp,gas	374.99	J/mol×K	600.89	Joback Calculated Property
Cp,gas	390.43	J/mol×K	637.96	Joback Calculated Property
Cp,gas	404.90	J/mol×K	675.04	Joback Calculated Property
Cp,gas	418.56	J/mol×K	712.11	Joback Calculated Property
Cp,gas	431.55	J/mol×K	749.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]octan-1-carboxylic acid, methyl ester.

Sources

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

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