Chemical Properties of Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, diethyl ester (CAS 5883-33-0)

InChI

InChI=1S/C13H18O4/c1-3-16-12(14)10-8-5-6-9(7-8)11(10)13(15)17-4-2/h5-6,8-11H,3-4,7H2,1-2H3

InChI Key

UXRMRBNLTQHPEU-UHFFFAOYSA-N

Formula

C13H18O4

SMILES

CCOC(=O)C1C2C=CC(C2)C1C(=O)OCC

Molecular Weight¹

238.28

CAS

5883-33-0

Other Names

• Diethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate

• ω : Acentric Factor.
• 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).
• 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.
• 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
ω	0.5151		Relay (1.0) Calculated Property
ΔfG°	-285.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-692.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.53	kJ/mol	Joback Calculated Property
ΔvapH°	76.81	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-2.85		Relay (1.0) Calculated Property
logPoct/wat	1.551		Crippen Calculated Property
McVol	182.890	ml/mol	McGowan Calculated Property
Pc	2227.09	kPa	Joback Calculated Property
Inp	[1561.00; 1561.00]
Inp	1561.00		NIST
Inp	1561.00		NIST
Tboil	526.88	K	Relay (1.0) Calculated Property
Tc	757.87	K	Relay (1.0) Calculated Property
Tfus	358.75	K	Relay (1.0) Calculated Property
Vc	0.665	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[523.03; 607.77]	J/mol×K	[656.99; 860.92]
Cp,gas	523.03	J/mol×K	656.99	Joback Calculated Property
Cp,gas	539.48	J/mol×K	690.98	Joback Calculated Property
Cp,gas	554.96	J/mol×K	724.97	Joback Calculated Property
Cp,gas	569.49	J/mol×K	758.96	Joback Calculated Property
Cp,gas	583.12	J/mol×K	792.95	Joback Calculated Property
Cp,gas	595.87	J/mol×K	826.94	Joback Calculated Property
Cp,gas	607.77	J/mol×K	860.92	Joback Calculated Property
η	[0.0009848; 0.0022244]	Pa×s	[405.23; 656.99]
η	0.0022244	Pa×s	405.23	Joback Calculated Property
η	0.0018221	Pa×s	447.19	Joback Calculated Property
η	0.0015445	Pa×s	489.15	Joback Calculated Property
η	0.0013438	Pa×s	531.11	Joback Calculated Property
η	0.0011933	Pa×s	573.07	Joback Calculated Property
η	0.0010770	Pa×s	615.03	Joback Calculated Property
η	0.0009848	Pa×s	656.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, diethyl ester.

Sources

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

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