Chemical Properties of Bicyclo[2.2.1]heptan-1-carboxylic acid, methyl ester (CAS 2287-57-2)

InChI

InChI=1S/C9H14O2/c1-11-8(10)9-4-2-7(6-9)3-5-9/h7H,2-6H2,1H3

InChI Key

ICBCULSDMSBNNZ-UHFFFAOYSA-N

Formula

C9H14O2

SMILES

COC(=O)C12CCC(CC1)C2

Molecular Weight¹

154.21

CAS

2287-57-2

Other Names

• Methyl bicyclo(2.2.1)heptane-1-carboxylate

• 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_boilr : Boiling point at reduced pressure (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	0.3737		Relay (1.0) Calculated Property
ΔfG°	-105.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-391.49	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.72	kJ/mol	Joback Calculated Property
ΔvapH°	56.98	kJ/mol	Relay (1.0) Calculated Property
IE	9.70	eV	Relay (1.0) Calculated Property
log10WS	-2.59		Relay (1.0) Calculated Property
logPoct/wat	1.740		Crippen Calculated Property
McVol	123.390	ml/mol	McGowan Calculated Property
Pc	3435.91	kPa	Joback Calculated Property
Inp	[1092.00; 1120.00]
Inp	1120.00		NIST
Inp	1092.00		NIST
I	1487.00		NIST
Tboil	470.48	K	Relay (1.0) Calculated Property
Tc	704.11	K	Relay (1.0) Calculated Property
Tfus	314.02	K	Relay (1.0) Calculated Property
Vc	0.432	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[294.31; 376.03]	J/mol×K	[499.60; 717.55]
Cp,gas	294.31	J/mol×K	499.60	Joback Calculated Property
Cp,gas	310.50	J/mol×K	535.92	Joback Calculated Property
Cp,gas	325.46	J/mol×K	572.25	Joback Calculated Property
Cp,gas	339.35	J/mol×K	608.57	Joback Calculated Property
Cp,gas	352.32	J/mol×K	644.90	Joback Calculated Property
Cp,gas	364.49	J/mol×K	681.22	Joback Calculated Property
Cp,gas	376.03	J/mol×K	717.55	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptan-1-carboxylic acid, methyl ester.

Sources

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

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