Chemical Properties of Pyrrolidine, 2,5-dimethyl-

InChI

InChI=1S/C6H13N/c1-5-3-4-6(2)7-5/h5-7H,3-4H2,1-2H3

InChI Key

ZEBFPAXSQXIPNF-UHFFFAOYSA-N

Formula

C6H13N

SMILES

CC1CCC(C)N1

Molecular Weight¹

99.18

Other Names

• Pyrrolidine, 2,5-dimethyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-88.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.89	kJ/mol	Joback Calculated Property
ΔvapH°	36.51	kJ/mol	Relay (1.0) Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
logPoct/wat	1.147		Crippen Calculated Property
McVol	94.520	ml/mol	McGowan Calculated Property
Inp	[756.00; 756.00]
Inp	756.00		NIST
Inp	756.00		NIST
Inp	756.00		NIST
Tboil	378.22	K	Relay (1.0) Calculated Property
Tc	575.43	K	Relay (1.0) Calculated Property
Tfus	233.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[176.49; 254.63]	J/mol×K	[395.84; 600.42]
Cp,gas	176.49	J/mol×K	395.84	Joback Calculated Property
Cp,gas	191.02	J/mol×K	429.94	Joback Calculated Property
Cp,gas	204.93	J/mol×K	464.03	Joback Calculated Property
Cp,gas	218.24	J/mol×K	498.13	Joback Calculated Property
Cp,gas	230.95	J/mol×K	532.22	Joback Calculated Property
Cp,gas	243.08	J/mol×K	566.32	Joback Calculated Property
Cp,gas	254.63	J/mol×K	600.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pyrrolidine, 2,5-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.