Chemical Properties of exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2,7,7-trimethyl, methyl ester

InChI

InChI=1S/C12H20O2/c1-11(2)8-5-6-9(11)12(3,7-8)10(13)14-4/h8-9H,5-7H2,1-4H3/t8-,9-,12-/m1/s1

InChI Key

RVUOFFPKHYODTM-KBVBSXBZSA-N

Formula

C12H20O2

SMILES

COC(=O)C1(C)CC2CCC1C2(C)C

Molecular Weight¹

196.29

• 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.
• 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
ω	0.4005		Relay (... Calculated Property
ΔfG°	-100.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.35	kJ/mol	Relay (... Calculated Property
ΔfusH°	13.34	kJ/mol	Joback Calculated Property
ΔvapH°	65.59	kJ/mol	Relay (... Calculated Property
IE	9.06	eV	Relay (... Calculated Property
log10WS	-3.25		Relay (... Calculated Property
logPoct/wat	2.622		Crippen Calculated Property
McVol	165.660	ml/mol	McGowan Calculated Property
Pc	2462.92	kPa	Joback Calculated Property
Inp	[1302.00; 1302.00]
Inp	1302.00		NIST
Inp	1302.00		NIST
I	[1624.00; 1624.00]
I	1624.00		NIST
I	1624.00		NIST
Tboil	486.27	K	Relay (... Calculated Property
Tc	738.21	K	Relay (... Calculated Property
Tfus	355.12	K	Relay (... Calculated Property
Vc	0.577	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[437.90; 536.18]	J/mol×K	[559.14; 774.82]
Cp,gas	437.90	J/mol×K	559.14	Joback Calculated Property
Cp,gas	456.54	J/mol×K	595.09	Joback Calculated Property
Cp,gas	474.00	J/mol×K	631.03	Joback Calculated Property
Cp,gas	490.47	J/mol×K	666.98	Joback Calculated Property
Cp,gas	506.18	J/mol×K	702.93	Joback Calculated Property
Cp,gas	521.34	J/mol×K	738.88	Joback Calculated Property
Cp,gas	536.18	J/mol×K	774.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to exo-Bicyclo[2.2.1]heptan-2-carboxylic acid, 2,7,7-trimethyl, methyl ester.

Sources

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

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