Chemical Properties of Neopentylamine (CAS 5813-64-9)

InChI

InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3

InChI Key

XDIAMRVROCPPBK-UHFFFAOYSA-N

Formula

C5H13N

SMILES

CC(C)(C)CN

Molecular Weight¹

87.16

CAS

5813-64-9

Other Names

• 1-Propanamine, 2,2-dimethyl-
• 2,2-Dimethyl-1-propylamine
• 2,2-Dimethylpropylamine
• neo-C5H11NH2

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• P_vap : Vapor pressure (kPa).
• 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
PAff	928.30	kJ/mol	NIST
BasG	894.00	kJ/mol	NIST
ΔfG°	60.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-121.49	kJ/mol	Joback Calculated Property
ΔfusH°	6.49	kJ/mol	Joback Calculated Property
ΔvapH°	36.07	kJ/mol	Joback Calculated Property
IE	[8.50; 9.30]	eV
IE	8.50	eV	NIST
IE	8.50 ± 0.10	eV	NIST
IE	9.30	eV	NIST
log10WS	-1.11		Crippen Calculated Property
logPoct/wat	0.991		Crippen Calculated Property
McVol	91.290	ml/mol	McGowan Calculated Property
Pc	3801.00	kPa	Joback Calculated Property
Tboil	355.65 ± 5.00	K	NIST
Tc	576.55	K	Joback Calculated Property
Tfus	231.79	K	Joback Calculated Property
Vc	0.334	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.09; 235.77]	J/mol×K	[383.10; 576.55]
Cp,gas	175.09	J/mol×K	383.10	Joback Calculated Property
Cp,gas	186.67	J/mol×K	415.34	Joback Calculated Property
Cp,gas	197.63	J/mol×K	447.58	Joback Calculated Property
Cp,gas	208.00	J/mol×K	479.82	Joback Calculated Property
Cp,gas	217.79	J/mol×K	512.07	Joback Calculated Property
Cp,gas	227.04	J/mol×K	544.31	Joback Calculated Property
Cp,gas	235.77	J/mol×K	576.55	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[264.06; 379.53]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.32972e+01
Coefficient B			-2.38798e+03
Coefficient C			-8.05000e+01
Temperature range, min.			264.06
Temperature range, max.			379.53
Pvap	1.33	kPa	264.06	Calculated Property
Pvap	3.12	kPa	276.89	Calculated Property
Pvap	6.58	kPa	289.72	Calculated Property
Pvap	12.72	kPa	302.55	Calculated Property
Pvap	22.88	kPa	315.38	Calculated Property
Pvap	38.74	kPa	328.21	Calculated Property
Pvap	62.28	kPa	341.04	Calculated Property
Pvap	95.76	kPa	353.87	Calculated Property
Pvap	141.66	kPa	366.70	Calculated Property
Pvap	202.64	kPa	379.53	Calculated Property

Similar Compounds

Find more compounds similar to Neopentylamine.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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