Chemical Properties of Methylidyne, cyano- (CAS 4120-02-9)

InChI

InChI=1S/C2N/c1-2-3

InChI Key

NHZXVPVTAJVRIV-UHFFFAOYSA-N

Formula

C2N

SMILES

[C]C#N

Molecular Weight¹

38.03

CAS

4120-02-9

Other Names

• Cyanomethylidyne

• EA : Electron affinity (eV).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_{(+) ion} : Enthalpy of formation of positive ion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
EA	[2.30; 2.75]	eV
EA	2.75 ± 0.00	eV	NIST
EA	2.30 ± 0.20	eV	NIST
ΔfH°gas	678.30 ± 4.40	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfH°(+) ion	1720.00	kJ/mol	NIST
IE	[12.00; 13.00]	eV
IE	12.00	eV	NIST
IE	13.00	eV	NIST
logPoct/wat	0.098		Crippen Calculated Property
McVol	33.970	ml/mol	McGowan Calculated Property
Tfus	195.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.

Similar Compounds

Find more compounds similar to Methylidyne, cyano-.

Sources

• Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• McGowan Method
• NIST Webbook

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