Chemical Properties of Neopentyl radical

InChI

InChI=1S/C5H11/c1-5(2,3)4/h1H2,2-4H3

InChI Key

GJWHXWMUGWZNTO-UHFFFAOYSA-N

Formula

C5H11

SMILES

[CH2]C(C)(C)C

Molecular Weight¹

71.14

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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).
• 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
EA	0.23 ± 0.12	eV	NIST
ΔfH°gas	-44.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	2.97	kJ/mol	Joback Calculated Property
ΔvapH°	19.29	kJ/mol	Relay (1.0) Calculated Property
IE	[7.88; 8.30]	eV
IE	7.88 ± 0.05	eV	NIST
IE	7.91	eV	NIST
IE	8.30 ± 0.10	eV	NIST
IE	8.25 ± 0.03	eV	NIST
logPoct/wat	1.867		Crippen Calculated Property
McVol	79.160	ml/mol	McGowan Calculated Property
Pc	3740.80	kPa	Joback Calculated Property
Tboil	290.62	K	Relay (1.0) Calculated Property
Tc	428.28	K	Relay (1.0) Calculated Property
Tfus	170.97	K	Relay (1.0) Calculated Property
Vc	0.295	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[119.34; 174.06]	J/mol×K	[309.87; 480.48]
Cp,gas	119.34	J/mol×K	309.87	Joback Calculated Property
Cp,gas	129.95	J/mol×K	338.31	Joback Calculated Property
Cp,gas	139.93	J/mol×K	366.74	Joback Calculated Property
Cp,gas	149.29	J/mol×K	395.18	Joback Calculated Property
Cp,gas	158.08	J/mol×K	423.61	Joback Calculated Property
Cp,gas	166.33	J/mol×K	452.05	Joback Calculated Property
Cp,gas	174.06	J/mol×K	480.48	Joback Calculated Property
η	[0.0002875; 0.0014388]	Pa×s	[164.90; 309.87]
η	0.0014388	Pa×s	164.90	Joback Calculated Property
η	0.0009267	Pa×s	189.06	Joback Calculated Property
η	0.0006595	Pa×s	213.22	Joback Calculated Property
η	0.0005029	Pa×s	237.38	Joback Calculated Property
η	0.0004033	Pa×s	261.55	Joback Calculated Property
η	0.0003356	Pa×s	285.71	Joback Calculated Property
η	0.0002875	Pa×s	309.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Neopentyl radical.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.