Chemical Properties of 4-(3-Methoxycarbonyl-propyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester

InChI

InChI=1S/C10H16N2O4/c1-15-8(13)5-3-4-7-6-11-12-9(7)10(14)16-2/h7,11H,3-6H2,1-2H3

InChI Key

KJPWAOVLRCILTP-UHFFFAOYSA-N

Formula

C10H16N2O4

SMILES

COC(=O)CCCC1CNN=C1C(=O)OC

Molecular Weight¹

228.25

• 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	0.6835		Relay (... Calculated Property
ΔfG°	-173.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-589.95	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.73	kJ/mol	Joback Calculated Property
ΔvapH°	86.05	kJ/mol	Relay (... Calculated Property
IE	8.56	eV	Relay (... Calculated Property
log10WS	-1.23		Relay (... Calculated Property
logPoct/wat	0.078		Crippen Calculated Property
McVol	171.440	ml/mol	McGowan Calculated Property
Pc	2893.62	kPa	Joback Calculated Property
Inp	[1830.00; 1830.00]
Inp	1830.00		NIST
Inp	1830.00		NIST
Tboil	563.90	K	Relay (... Calculated Property
Tc	795.18	K	Relay (... Calculated Property
Tfus	361.96	K	Relay (... Calculated Property
Vc	0.617	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[494.25; 567.89]	J/mol×K	[702.45; 919.55]
Cp,gas	494.25	J/mol×K	702.45	Joback Calculated Property
Cp,gas	509.12	J/mol×K	738.63	Joback Calculated Property
Cp,gas	522.99	J/mol×K	774.82	Joback Calculated Property
Cp,gas	535.83	J/mol×K	811.00	Joback Calculated Property
Cp,gas	547.61	J/mol×K	847.18	Joback Calculated Property
Cp,gas	558.31	J/mol×K	883.37	Joback Calculated Property
Cp,gas	567.89	J/mol×K	919.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(3-Methoxycarbonyl-propyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester.

Sources

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

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