Chemical Properties of 2-Pentanamine, 2,4,4-trimethyl- (CAS 107-45-9)

InChI

InChI=1S/C8H19N/c1-7(2,3)6-8(4,5)9/h6,9H2,1-5H3

InChI Key

QIJIUJYANDSEKG-UHFFFAOYSA-N

Formula

C8H19N

SMILES

CC(C)(C)CC(C)(C)N

Molecular Weight¹

129.24

CAS

107-45-9

Other Names

• 1,1,3,3-Tetramethylbutanamine
• 1,1,3,3-Tetramethylbutylamine
• 2,4,4-Trimethyl-2-Pentylamine
• Butylamine, 1,1,3,3-tetramethyl-
• Butylamine, bis(1,3-dimethyl)-
• NSC 33852
• t-Octylamine
• tert-Octylamine

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor 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	0.4182		Relay (1.0) Calculated Property
ΔfG°	88.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-202.06	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.84	kJ/mol	Joback Calculated Property
ΔvapH°	45.15	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
logPoct/wat	2.160		Crippen Calculated Property
McVol	133.560	ml/mol	McGowan Calculated Property
Pc	2796.51	kPa	Joback Calculated Property
Inp	[873.60; 885.00]
Inp	873.60		NIST
Inp	885.00		NIST
Tboil	[413.15; 413.20]	K
Tboil	413.20	K	NIST
Tboil	413.15 ± 2.00	K	NIST
Tc	591.32	K	Relay (1.0) Calculated Property
Tfus	242.80	K	Relay (1.0) Calculated Property
Vc	0.483	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[297.42; 381.67]	J/mol×K	[448.71; 649.84]
Cp,gas	297.42	J/mol×K	448.71	Joback Calculated Property
Cp,gas	313.83	J/mol×K	482.23	Joback Calculated Property
Cp,gas	329.22	J/mol×K	515.75	Joback Calculated Property
Cp,gas	343.64	J/mol×K	549.27	Joback Calculated Property
Cp,gas	357.16	J/mol×K	582.79	Joback Calculated Property
Cp,gas	369.82	J/mol×K	616.32	Joback Calculated Property
Cp,gas	381.67	J/mol×K	649.84	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[312.52; 437.14]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56522e+01
Coefficient B			-3.94125e+03
Coefficient C			-5.60060e+01
Temperature range, min.			312.52
Temperature range, max.			437.14
Pvap	1.33	kPa	312.52	Calculated Property
Pvap	2.93	kPa	326.37	Calculated Property
Pvap	5.96	kPa	340.21	Calculated Property
Pvap	11.35	kPa	354.06	Calculated Property
Pvap	20.41	kPa	367.91	Calculated Property
Pvap	34.92	kPa	381.75	Calculated Property
Pvap	57.19	kPa	395.60	Calculated Property
Pvap	90.12	kPa	409.45	Calculated Property
Pvap	137.21	kPa	423.29	Calculated Property
Pvap	202.63	kPa	437.14	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentanamine, 2,4,4-trimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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