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

InChI

InChI=1S/C11H18O2/c1-11(2)7-4-5-9(11)8(6-7)10(12)13-3/h7-9H,4-6H2,1-3H3/t7-,8-,9+/m1/s1

InChI Key

YOEDQIUFJQMKBL-HLTSFMKQSA-N

Formula

C11H18O2

SMILES

COC(=O)C1CC2CCC1C2(C)C

Molecular Weight¹

182.26

• 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°	-103.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-401.17	kJ/mol	Joback Calculated Property
ΔfusH°	17.05	kJ/mol	Joback Calculated Property
ΔvapH°	47.47	kJ/mol	Joback Calculated Property
log10WS	-2.11		Crippen Calculated Property
logPoct/wat	2.232		Crippen Calculated Property
McVol	151.570	ml/mol	McGowan Calculated Property
Pc	2592.49	kPa	Joback Calculated Property
Inp	[1268.00; 1268.00]
Inp	1268.00		NIST
Inp	1268.00		NIST
I	1635.00		NIST
Tboil	536.02	K	Joback Calculated Property
Tc	746.72	K	Joback Calculated Property
Tfus	333.67	K	Joback Calculated Property
Vc	0.578	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[389.61; 484.85]	J/mol×K	[536.02; 746.72]
Cp,gas	389.61	J/mol×K	536.02	Joback Calculated Property
Cp,gas	407.93	J/mol×K	571.14	Joback Calculated Property
Cp,gas	425.11	J/mol×K	606.25	Joback Calculated Property
Cp,gas	441.27	J/mol×K	641.37	Joback Calculated Property
Cp,gas	456.53	J/mol×K	676.49	Joback Calculated Property
Cp,gas	471.02	J/mol×K	711.60	Joback Calculated Property
Cp,gas	484.85	J/mol×K	746.72	Joback Calculated Property

Similar Compounds

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

Sources

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

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