Chemical Properties of 6-Hydroxymethylbicyclo[2.2.1]hept-2-ene-1-carboxylic acid, methyl ester

InChI

InChI=1S/C10H14O3/c1-13-9(12)10-3-2-7(5-10)4-8(10)6-11/h2-3,7-8,11H,4-6H2,1H3

InChI Key

MTAURAMEOVOLEM-UHFFFAOYSA-N

Formula

C10H14O3

SMILES

COC(=O)C12C=CC(CC1CO)C2

Molecular Weight¹

182.22

• 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.
• 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°	-211.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-454.64	kJ/mol	Joback Calculated Property
ΔfusH°	18.70	kJ/mol	Joback Calculated Property
ΔvapH°	62.52	kJ/mol	Joback Calculated Property
log10WS	-1.05		Crippen Calculated Property
logPoct/wat	0.734		Crippen Calculated Property
McVol	139.050	ml/mol	McGowan Calculated Property
Pc	3431.89	kPa	Joback Calculated Property
Inp	[1368.00; 1368.00]
Inp	1368.00		NIST
Inp	1368.00		NIST
Tboil	609.15	K	Joback Calculated Property
Tc	810.61	K	Joback Calculated Property
Tfus	388.22	K	Joback Calculated Property
Vc	0.527	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[379.28; 447.25]	J/mol×K	[609.15; 810.61]
Cp,gas	379.28	J/mol×K	609.15	Joback Calculated Property
Cp,gas	392.05	J/mol×K	642.73	Joback Calculated Property
Cp,gas	404.09	J/mol×K	676.30	Joback Calculated Property
Cp,gas	415.52	J/mol×K	709.88	Joback Calculated Property
Cp,gas	426.45	J/mol×K	743.45	Joback Calculated Property
Cp,gas	436.99	J/mol×K	777.03	Joback Calculated Property
Cp,gas	447.25	J/mol×K	810.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Hydroxymethylbicyclo[2.2.1]hept-2-ene-1-carboxylic acid, methyl ester.

Sources

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

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