Chemical Properties of Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, exo- (CAS 769-85-7)

InChI

InChI=1S/C9H12O2/c1-11-9(10)8-5-6-2-3-7(8)4-6/h2-3,6-8H,4-5H2,1H3/t6-,7-,8+/m1/s1

InChI Key

RMAZRAQKPTXZNL-PRJMDXOYSA-N

Formula

C9H12O2

SMILES

COC(=O)C1CC2C=CC1C2

Molecular Weight¹

152.19

CAS

769-85-7

Other Names

• cis-Bicyclo[2.2.1]hept-2-ene-5-carboxylic acid, methyl ester
• exo-Bicyclo[2.2.1]hept-5-en-2-carboxylic acid, methyl ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-77.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-297.01	kJ/mol	Joback Calculated Property
ΔfusH°	18.32	kJ/mol	Joback Calculated Property
ΔvapH°	44.77	kJ/mol	Joback Calculated Property
log10WS	-1.37		Crippen Calculated Property
logPoct/wat	1.372		Crippen Calculated Property
McVol	119.090	ml/mol	McGowan Calculated Property
Pc	3272.78	kPa	Joback Calculated Property
Inp	[1098.00; 1098.00]
Inp	1098.00		NIST
Inp	1098.00		NIST
I	1493.00		NIST
Tboil	493.85	K	Joback Calculated Property
Tc	704.70	K	Joback Calculated Property
Tfus	292.23	K	Joback Calculated Property
Vc	0.455	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.17; 357.51]	J/mol×K	[493.85; 704.70]
Cp,gas	278.17	J/mol×K	493.85	Joback Calculated Property
Cp,gas	293.60	J/mol×K	528.99	Joback Calculated Property
Cp,gas	308.08	J/mol×K	564.13	Joback Calculated Property
Cp,gas	321.67	J/mol×K	599.27	Joback Calculated Property
Cp,gas	334.41	J/mol×K	634.41	Joback Calculated Property
Cp,gas	346.34	J/mol×K	669.56	Joback Calculated Property
Cp,gas	357.51	J/mol×K	704.70	Joback Calculated Property
η	[0.0007920; 0.0013177]	Pa×s	[292.23; 493.85]
η	0.0013177	Pa×s	292.23	Joback Calculated Property
η	0.0011587	Pa×s	325.83	Joback Calculated Property
η	0.0010436	Pa×s	359.44	Joback Calculated Property
η	0.0009570	Pa×s	393.04	Joback Calculated Property
η	0.0008896	Pa×s	426.64	Joback Calculated Property
η	0.0008358	Pa×s	460.25	Joback Calculated Property
η	0.0007920	Pa×s	493.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, exo-.

Sources

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

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