Chemical Properties of 3,4-Dimethyl pyrrolidine (E)

InChI

InChI=1S/C6H13N/c1-5-3-7-4-6(5)2/h5-7H,3-4H2,1-2H3/t5-,6-/m1/s1

InChI Key

RDEHRKLSYJBKDV-PHDIDXHHSA-N

Formula

C6H13N

SMILES

CC1CNCC1C

Molecular Weight¹

99.17

Other Names

• Pyrrolidine, 3,4-dimethyl, trans

• 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).
• 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°	116.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-89.22	kJ/mol	Joback Calculated Property
ΔfusH°	15.89	kJ/mol	Joback Calculated Property
ΔvapH°	35.66	kJ/mol	Joback Calculated Property
log10WS	-0.93		Crippen Calculated Property
logPoct/wat	0.862		Crippen Calculated Property
McVol	94.520	ml/mol	McGowan Calculated Property
Pc	3801.00	kPa	Joback Calculated Property
Inp	[796.00; 796.00]
Inp	796.00		NIST
Inp	796.00		NIST
Inp	796.00		NIST
Tboil	395.84	K	Joback Calculated Property
Tc	600.42	K	Joback Calculated Property
Tfus	269.07	K	Joback Calculated Property
Vc	0.348	m3/kmol	Joback Calculated Property

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 3,4-Dimethyl pyrrolidine (E).

Sources

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

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