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

InChI

InChI=1S/C11H16O2/c1-13-10(12)8-6-7-2-3-9(8)11(7)4-5-11/h7-9H,2-6H2,1H3/t7-,8+,9+/m1/s1

InChI Key

BOBIGPLBAPRCGC-VGMNWLOBSA-N

Formula

C11H16O2

SMILES

COC(=O)C1CC2CCC1C21CC1

Molecular Weight¹

180.24

• 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°	-23.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-301.87	kJ/mol	Joback Calculated Property
ΔfusH°	16.21	kJ/mol	Joback Calculated Property
ΔvapH°	47.52	kJ/mol	Joback Calculated Property
log10WS	-2.01		Crippen Calculated Property
logPoct/wat	1.986		Crippen Calculated Property
McVol	140.710	ml/mol	McGowan Calculated Property
Pc	2999.15	kPa	Joback Calculated Property
Inp	[1268.00; 1268.00]
Inp	1268.00		NIST
Inp	1268.00		NIST
I	[1643.00; 1643.00]
I	1643.00		NIST
I	1643.00		NIST
Tboil	543.16	K	Joback Calculated Property
Tc	762.22	K	Joback Calculated Property
Tfus	359.37	K	Joback Calculated Property
Vc	0.543	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[374.14; 464.85]	J/mol×K	[543.16; 762.22]
Cp,gas	374.14	J/mol×K	543.16	Joback Calculated Property
Cp,gas	391.98	J/mol×K	579.67	Joback Calculated Property
Cp,gas	408.48	J/mol×K	616.18	Joback Calculated Property
Cp,gas	423.84	J/mol×K	652.69	Joback Calculated Property
Cp,gas	438.23	J/mol×K	689.20	Joback Calculated Property
Cp,gas	451.84	J/mol×K	725.71	Joback Calculated Property
Cp,gas	464.85	J/mol×K	762.22	Joback Calculated Property

Similar Compounds

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

Sources

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

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