Chemical Properties of endo-Bicyclo[2.2.1]heptan-2-carboxylic acid, methyl ester

InChI

InChI=1S/C9H14O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1

InChI Key

BWGIKEUGPCOETD-GJMOJQLCSA-N

Formula

C9H14O2

SMILES

COC(=O)C1CC2CCC1C2

Molecular Weight¹

154.21

• 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°	-107.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-354.79	kJ/mol	Joback Calculated Property
ΔfusH°	17.09	kJ/mol	Joback Calculated Property
ΔvapH°	44.47	kJ/mol	Joback Calculated Property
log10WS	-1.52		Crippen Calculated Property
logPoct/wat	1.596		Crippen Calculated Property
McVol	123.390	ml/mol	McGowan Calculated Property
Pc	3142.03	kPa	Joback Calculated Property
Inp	1131.00		NIST
I	[1507.00; 1507.00]
I	1507.00		NIST
I	1507.00		NIST
Tboil	494.69	K	Joback Calculated Property
Tc	703.45	K	Joback Calculated Property
Tfus	291.47	K	Joback Calculated Property
Vc	0.469	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[294.85; 380.99]	J/mol×K	[494.69; 703.45]
Cp,gas	294.85	J/mol×K	494.69	Joback Calculated Property
Cp,gas	311.49	J/mol×K	529.48	Joback Calculated Property
Cp,gas	327.15	J/mol×K	564.28	Joback Calculated Property
Cp,gas	341.89	J/mol×K	599.07	Joback Calculated Property
Cp,gas	355.75	J/mol×K	633.86	Joback Calculated Property
Cp,gas	368.76	J/mol×K	668.65	Joback Calculated Property
Cp,gas	380.99	J/mol×K	703.45	Joback Calculated Property
η	[0.0008027; 0.0015354]	Pa×s	[291.47; 494.69]
η	0.0015354	Pa×s	291.47	Joback Calculated Property
η	0.0013027	Pa×s	325.34	Joback Calculated Property
η	0.0011401	Pa×s	359.21	Joback Calculated Property
η	0.0010209	Pa×s	393.08	Joback Calculated Property
η	0.0009304	Pa×s	426.95	Joback Calculated Property
η	0.0008595	Pa×s	460.82	Joback Calculated Property
η	0.0008027	Pa×s	494.69	Joback Calculated Property

Similar Compounds

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

Sources

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

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