Chemical Properties of 4,5-Dihydro-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester

InChI

InChI=1S/C7H10N2O4/c1-12-6(10)4-3-8-9-5(4)7(11)13-2/h4,8H,3H2,1-2H3

InChI Key

HDHXZOHSNQOFNR-UHFFFAOYSA-N

Formula

C7H10N2O4

SMILES

COC(=O)C1=NNCC1C(=O)OC

Molecular Weight¹

186.17

• 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	0.5523		Relay (1.0) Calculated Property
ΔfG°	-198.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-503.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.96	kJ/mol	Joback Calculated Property
ΔvapH°	80.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-0.86		Relay (1.0) Calculated Property
logPoct/wat	-1.092		Crippen Calculated Property
McVol	129.170	ml/mol	McGowan Calculated Property
Pc	4051.80	kPa	Joback Calculated Property
Inp	[1506.00; 1506.00]
Inp	1506.00		NIST
Inp	1506.00		NIST
Tboil	527.40	K	Relay (1.0) Calculated Property
Tc	775.51	K	Relay (1.0) Calculated Property
Tfus	384.40	K	Relay (1.0) Calculated Property
Vc	0.461	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[341.94; 407.75]	J/mol×K	[633.81; 862.79]
Cp,gas	341.94	J/mol×K	633.81	Joback Calculated Property
Cp,gas	355.04	J/mol×K	671.97	Joback Calculated Property
Cp,gas	367.34	J/mol×K	710.14	Joback Calculated Property
Cp,gas	378.81	J/mol×K	748.30	Joback Calculated Property
Cp,gas	389.40	J/mol×K	786.46	Joback Calculated Property
Cp,gas	399.06	J/mol×K	824.62	Joback Calculated Property
Cp,gas	407.75	J/mol×K	862.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,5-Dihydro-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester.

Sources

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

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