Chemical Properties of trans-3,6-Endomethylene-1,2,3,6-tetrahydrophthaloyl chloride (CAS 4582-21-2)

InChI

InChI=1S/C9H8Cl2O2/c10-8(12)6-4-1-2-5(3-4)7(6)9(11)13/h1-2,4-7H,3H2

InChI Key

KANQIAARVSWKKG-UHFFFAOYSA-N

Formula

C9H8Cl2O2

SMILES

O=C(Cl)C1C2C=CC(C2)C1C(=O)Cl

Molecular Weight¹

219.06

CAS

4582-21-2

Other Names

• Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl dichloride, (2-endo,3-exo)-
• trans-Bicyclo(2.2.1)hept-5-enyl-2,3-dicarbonylchloride
• 5-Norbornene-2,3-dicarbonyl chloride, trans-
• (2-endo,3-exo)-bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyl dichloride

• 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.
• 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°	-132.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-329.19	kJ/mol	Joback Calculated Property
ΔfusH°	28.19	kJ/mol	Joback Calculated Property
ΔvapH°	57.56	kJ/mol	Joback Calculated Property
log10WS	-2.12		Crippen Calculated Property
logPoct/wat	1.955		Crippen Calculated Property
McVol	139.270	ml/mol	McGowan Calculated Property
Pc	3173.97	kPa	Joback Calculated Property
Inp	[1385.00; 1385.00]
Inp	1385.00		NIST
Inp	1385.00		NIST
Tboil	595.49	K	Joback Calculated Property
Tc	826.47	K	Joback Calculated Property
Tfus	375.53	K	Joback Calculated Property
Vc	0.539	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[327.05; 390.02]	J/mol×K	[595.49; 826.47]
Cp,gas	327.05	J/mol×K	595.49	Joback Calculated Property
Cp,gas	339.79	J/mol×K	633.99	Joback Calculated Property
Cp,gas	351.54	J/mol×K	672.48	Joback Calculated Property
Cp,gas	362.36	J/mol×K	710.98	Joback Calculated Property
Cp,gas	372.33	J/mol×K	749.48	Joback Calculated Property
Cp,gas	381.53	J/mol×K	787.98	Joback Calculated Property
Cp,gas	390.02	J/mol×K	826.47	Joback Calculated Property
η	[0.0017314; 0.0030735]	Pa×s	[375.53; 595.49]
η	0.0030735	Pa×s	375.53	Joback Calculated Property
η	0.0026768	Pa×s	412.19	Joback Calculated Property
η	0.0023845	Pa×s	448.85	Joback Calculated Property
η	0.0021616	Pa×s	485.51	Joback Calculated Property
η	0.0019867	Pa×s	522.17	Joback Calculated Property
η	0.0018463	Pa×s	558.83	Joback Calculated Property
η	0.0017314	Pa×s	595.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-3,6-Endomethylene-1,2,3,6-tetrahydrophthaloyl chloride.

Sources

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

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