Chemical Properties of Cantharidin (CAS 56-25-7)

InChI

InChI=1S/C10H12O4/c1-9-5-3-4-6(13-5)10(9,2)8(12)14-7(9)11/h5-6H,3-4H2,1-2H3/t5-,6+,9+,10-

InChI Key

DHZBEENLJMYSHQ-XCVPVQRUSA-N

Formula

C10H12O4

SMILES

CC12C(=O)OC(=O)C1(C)C1CCC2O1

Molecular Weight¹

196.20

CAS

56-25-7

Other Names

• 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-
• 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylic anhydride, 2,3-dimethyl-
• Cantharides camphor
• Cantharidine
• Cantharone
• Kantaridin
• 1,2-Dimethyl-3,6-epoxyperhydrophthalic anhydride
• exo-1,2-cis-Dimethyl-3,6-epoxyhexahydrophthalic anhydride
• CAN
• Hexahydro-3a,7a-dimethyl-4,7-epoxyisobenzofuran-1,3-dione
• 2,3-Dimethyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic anhydride
• 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-
• Kantharidin
• 4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-3a,7a-dimethyl-, (3aR,4S,7R,7aS)-rel-
• NSC 61805
• CAN [Alkaloid]
• (1R,2S,3R,6S)-1,2-dimethyl-3,6-epoxycyclohexane-1,2-dicarboxylic anhydride

• ω : Acentric Factor.
• 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).
• 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	0.4451		Relay (1.0) Calculated Property
ΔfG°	-232.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-636.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.41	kJ/mol	Joback Calculated Property
ΔvapH°	72.19	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-1.54		Relay (1.0) Calculated Property
logPoct/wat	0.644		Crippen Calculated Property
McVol	134.060	ml/mol	McGowan Calculated Property
Pc	3655.35	kPa	Joback Calculated Property
Inp	[1457.00; 1490.00]
Inp	1472.00		NIST
Inp	1468.00		NIST
Inp	1457.00		NIST
Inp	1490.00		NIST
Tboil	531.25	K	Relay (1.0) Calculated Property
Tc	804.80	K	Relay (1.0) Calculated Property
Tfus	484.65	K	Relay (1.0) Calculated Property
Vc	0.518	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[398.66; 492.27]	J/mol×K	[638.04; 897.24]
Cp,gas	398.66	J/mol×K	638.04	Joback Calculated Property
Cp,gas	414.97	J/mol×K	681.24	Joback Calculated Property
Cp,gas	430.55	J/mol×K	724.44	Joback Calculated Property
Cp,gas	445.73	J/mol×K	767.64	Joback Calculated Property
Cp,gas	460.86	J/mol×K	810.84	Joback Calculated Property
Cp,gas	476.26	J/mol×K	854.04	Joback Calculated Property
Cp,gas	492.27	J/mol×K	897.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cantharidin.

Sources

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

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