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

• 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_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
ΔfG°	-105.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-319.21	kJ/mol	Joback Calculated Property
ΔfusH°	9.72	kJ/mol	Joback Calculated Property
ΔvapH°	43.63	kJ/mol	Joback Calculated Property
log10WS	-1.76		Crippen 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	499.60	K	Joback Calculated Property
Tc	717.55	K	Joback Calculated Property
Tfus	319.61	K	Joback Calculated Property
Vc	0.468	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.