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

InChI

InChI=1S/C12H18O2/c1-11(10(13)14-2)7-8-3-4-9(11)12(8)5-6-12/h8-9H,3-7H2,1-2H3/t8-,9-,11-/m0/s1

InChI Key

BYBXYWJLTXNRDH-QXEWZRGKSA-N

Formula

C12H18O2

SMILES

COC(=O)C1(C)CC2CCC1C21CC1

Molecular Weight¹

194.27

• 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°	-20.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-307.27	kJ/mol	Joback Calculated Property
ΔfusH°	12.50	kJ/mol	Joback Calculated Property
ΔvapH°	48.59	kJ/mol	Joback Calculated Property
log10WS	-2.43		Crippen Calculated Property
logPoct/wat	2.376		Crippen Calculated Property
McVol	154.800	ml/mol	McGowan Calculated Property
Pc	2838.39	kPa	Joback Calculated Property
Inp	1295.00		NIST
I	[1631.00; 1631.00]
I	1631.00		NIST
I	1631.00		NIST
Tboil	566.28	K	Joback Calculated Property
Tc	790.33	K	Joback Calculated Property
Tfus	394.54	K	Joback Calculated Property
Vc	0.598	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[421.85; 515.81]	J/mol×K	[566.28; 790.33]
Cp,gas	421.85	J/mol×K	566.28	Joback Calculated Property
Cp,gas	439.88	J/mol×K	603.62	Joback Calculated Property
Cp,gas	456.57	J/mol×K	640.96	Joback Calculated Property
Cp,gas	472.22	J/mol×K	678.31	Joback Calculated Property
Cp,gas	487.11	J/mol×K	715.65	Joback Calculated Property
Cp,gas	501.54	J/mol×K	752.99	Joback Calculated Property
Cp,gas	515.81	J/mol×K	790.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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