CH2CHCN

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Species data

Common Formula	CH2CHCN
Stoichiometric Formula	C3H3N
Name	2-Propenenitrile
Mass	53.02655 a.m.u
Charge	0
CAS	107-13-1
Inchi	InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
InchiKey	NLHHRLWOUZZQLW-UHFFFAOYSA-N
State	Ground State

Search all reactions with CH2CHCN

KIDA CH2CHCN

ISM Abundance

log₁₀ Abundance	Reference	Source Name	Source Type	Link

Polarizability

Evaluation	Definition	Value (Å³)	Method	Origin	Reference
	total	5.979	Calculations	Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE

Definition: total Value (Å³): 5.979 Method: Calculations Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE Reference:

Dipole moment

Evaluation	Value (D)	Method	Origin	Reference
	3.87	Measurements	Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE

Value (D): 3.87 Method: Measurements Origin: Database : NIST COMPUTATIONAL CHEMISTRY COMPARISON AND BENCHMARK DATABASE Reference:

Enthalpy of formation

Evaluation	T (K)	Value (kJ.mol^-1)	Method	Origin	Reference
	0	190.874 ±8	Reviews and Evaluations	Database : Burcat
	298	184.037 ±8	Reviews and Evaluations	Database : Burcat
	298	180.6	Measurements	Database : CCCBDB (http://cccbdb.nist.gov/)
	0	187.2	Measurements	Database : CCCBDB (http://cccbdb.nist.gov/)

T (K): 0 Value (kJ.mol^-1) : 190.874 ±8 Method: Reviews and Evaluations Origin: Other database Reference:
T (K): 298 Value (kJ.mol^-1) : 184.037 ±8 Method: Reviews and Evaluations Origin: Other database Reference:
T (K): 298 Value (kJ.mol^-1) : 180.6 Method: Measurements Origin: Other database Reference:
T (K): 0 Value (kJ.mol^-1) : 187.2 Method: Measurements Origin: Other database Reference:

Desorption energy

Evaluation	E_mean (K)	E_min (K)	E_max (K)	Pre-exponential factor (s^-1)	Order factor	Method	Origin	Reference	Type of surface	Description
	5480	0	0	0.00E+0	1	Estimation	Database : OSU		H2O	HC3N+H+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992).

E_mean (K): 5480 E _min (K): 0 E _max (K): 0 Pre-exponential factor (s^-1): 0.00E+0 Method: Estimation Origin: Other database Reference: Type of surface: H2O Description: HC3N+H+H The pre-exponential factor is not given. It can be computed using the formula given in Hasegawa et al. (1992). Evaluation:

Diffusion energy

No data