2-Propenenitrile (CAS 107-13-1)

InChI

InChI=1S/C3H3N/c1-2-3-4/h2H,1H2

InChI Key

NLHHRLWOUZZQLW-UHFFFAOYSA-N

Formula

C3H3N

SMILES

C=CC#N

Molecular Weight¹

53.06

CAS

107-13-1

Other Names

Acritet
Acrylnitril
Acrylon
Acrylonitrile monomer
Akrylonitril
Akrylonitryl
CH2CHCN
Carbacryl
Cianuro di vinile
Cyanoethene
Cyanure de vinyle
ENT 54
Fumigrain
Miller's fumigrain
NSC 6362
Nitrile acrilico
Nitrile acrylique
Propenitrile
Propenonitrile
Rcra waste number U009
TL 314
UN 1093
VCN
Ventox
Vinylkyanid
acrylonitrile
cyanoethylene
prop-2-enenitrile
propenenitrile
vinyl cyanide

ω : Acentric Factor.
PAff : Proton affinity (kJ/mol).
T_ig : Autoignition Temperature (K).
BasG : Gas basicity (kJ/mol).
Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
C_p,gas : Ideal gas heat capacity (J/mol×K).
C_p,liquid : Liquid phase heat capacity (J/mol×K).
μ : Dipole Moment (debye).
η : Dynamic viscosity (Pa×s).
EA : Electron affinity (eV).
LFL : Lower Flammability Limit (% in Air).
UFL : Upper Flammability Limit (% in Air).
T_flash,cc : Flash Point (Closed Cup Method) (K).
T_flash,oc : Flash Point (Open Cup Method) (K).
Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
R_g : Radius of Gyration.
Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
Δ_vapH : Enthalpy of vaporization at a given temperature (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).
NFPA Fire : NFPA Fire Rating.
NFPA Health : NFPA Health Rating.
NFPA Safety : NFPA Safety Rating.
P_c : Critical Pressure (kPa).
P_triple : Triple Point Pressure (kPa).
P_vap : Vapor pressure (kPa).
n₀ : Refractive Index.
ρ_l : Liquid Density (kg/m³).
I_np : Non-polar retention indices.
I_p : Polar retention indices.
Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
γ : Surface Tension (N/m).
T_boil : Normal Boiling Point Temperature (K).
T_c : Critical Temperature (K).
λ_gas : Gas thermal conductivity (W/m×K).
λ_liquid : Liquid thermal conductivity (W/m×K).
T_fus : Normal melting (fusion) point (K).
T_triple : Triple Point Temperature (K).
U_Qi : UNIQUAC Qi Parameter.
U_Ri : UNIQUAC Ri Parameter.
V_c : Critical Volume (m³/kmol).
Z_c : Critical Compressibility.
Z_ra : Rackett Parameter.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	[0.3498; 0.3500]
ω	0.3500		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3498		ChemSep v8.3 pure component data Compiled value
ω	0.3500		KDB
PAff	784.70	kJ/mol	NIST
T_ig	754.26	K	KDB
BasG	753.70	kJ/mol	NIST
Δ_cH°_liquid	[-1759.00; -1756.40]	kJ/mol
Δ_cH°_liquid	-1756.40 ± 0.42	kJ/mol	NIST
Δ_cH°_liquid	-1759.00 ± 3.00	kJ/mol	NIST
μ	[3.50; 3.87]	debye
μ	3.87	debye	ChemSep v8.3 pure component data Compiled value
μ	3.50	debye	KDB
EA	[0.01; 0.01]	eV
EA	0.01	eV	NIST
EA	0.01	eV	NIST
LFL	3.05	% in Air	KDB
UFL	17.00	% in Air	KDB
T_flash,cc	272.59	K	KDB
T_flash,oc	272.04	K	KDB
Δ_fG°	[193.70; 195.40]	kJ/mol
Δ_fG°	193.70	kJ/mol	ChemSep v8.3 pure component data Compiled value
Δ_fG°	195.40	kJ/mol	KDB
R_g	2.4430		KDB
Δ_fH°_gas	[172.60; 185.10]	kJ/mol
Δ_fH°_gas	183.70	kJ/mol	ChemSep v8.3 pure component data Compiled value
Δ_fH°_gas	185.10	kJ/mol	KDB
Δ_fH°_gas	172.60	kJ/mol	NIST
Δ_fH°_gas	179.70	kJ/mol	NIST
Δ_fH°_liquid	[140.00; 147.10]	kJ/mol
Δ_fH°_liquid	140.00	kJ/mol	NIST
Δ_fH°_liquid	147.10	kJ/mol	NIST
Δ_fusH°	3.75	kJ/mol	Joback Calculated Property
Δ_vapH°	[31.60; 33.00]	kJ/mol
Δ_vapH°	31.60	kJ/mol	NIST
Δ_vapH°	33.00	kJ/mol	NIST
Δ_vapH°	32.60	kJ/mol	NIST
Δ_vapH°	33.00	kJ/mol	NIST
IE	[10.91; 11.10]	eV
IE	10.91 ± 0.01	eV	NIST
IE	10.91	eV	NIST
IE	10.91	eV	NIST
IE	10.91	eV	NIST
IE	10.91 ± 0.01	eV	NIST
IE	Outlier 11.10	eV	NIST
IE	10.92 ± 0.05	eV	NIST
log₁₀WS	[0.15; 0.15]
log₁₀WS	0.15		Aq. Solubility Prediction
log₁₀WS	0.15		Estimated Solubility
logP_oct/wat	0.696		Crippen Calculated Property
McVol	50.210	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
NFPA Health	4		KDB
NFPA Safety	2		KDB
P_c	[4480.00; 4660.00]	kPa
P_c	4660.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
P_c	4559.62	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
P_c	4480.00	kPa	ChemSep v8.3 pure component data Compiled value
P_c	4560.00	kPa	KDB
P_c	4660.00 ± 20.00	kPa	NIST
P_triple	3.68e-03	kPa	ChemSep v8.3 pure component data Compiled value
I_np	[476.00; 544.00]
I_np	540.00		NIST
I_np	Outlier 544.00		NIST
I_np	496.40		NIST
I_np	476.00		NIST
I_np	482.00		NIST
I_np	500.00		NIST
I_np	521.10		NIST
I_np	520.00		NIST
I_np	516.00		NIST
I_np	482.00		NIST
I_np	488.00		NIST
I_np	491.00		NIST
I_np	495.00		NIST
I_np	526.00		NIST
I_np	495.00		NIST
I_np	492.00		NIST
I_np	495.00		NIST
I_np	492.00		NIST
I_np	490.00		NIST
I_np	521.10		NIST
I_np	516.00		NIST
I_p	[993.00; 1010.00]
I_p	993.00		NIST
I_p	1010.00		NIST
S°_liquid	178.91	J/mol×K	NIST
T_boil	[349.65; 352.15]	K
T_boil	350.50	K	ChemSep v8.3 pure component data Compiled value
T_boil	350.50	K	KDB
T_boil	350.00 ± 2.50	K	NIST
T_boil	350.20	K	NIST
T_boil	350.00	K	NIST
T_boil	350.35 ± 0.40	K	NIST
T_boil	350.50 ± 0.50	K	NIST
T_boil	350.55	K	NIST
T_boil	349.65 ± 0.50	K	NIST
T_boil	350.50 ± 0.50	K	NIST
T_boil	350.25 ± 0.30	K	NIST
T_boil	350.80 ± 0.50	K	NIST
T_boil	Outlier 352.15 ± 0.00	K	NIST
T_boil	351.40 ± 2.00	K	NIST
T_c	[535.00; 540.00]	K
T_c	540.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
T_c	536.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
T_c	535.00	K	ChemSep v8.3 pure component data Compiled value
T_c	536.00	K	KDB
T_c	540.00 ± 2.00	K	NIST
T_fus	[189.40; 191.00]	K
T_fus	189.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
T_fus	189.63	K	ChemSep v8.3 pure component data Compiled value
T_fus	189.50	K	KDB
T_fus	189.40	K	Aq. Solubility Prediction
T_fus	189.55	K	NIST
T_fus	189.47 ± 0.20	K	NIST
T_fus	189.60 ± 0.10	K	NIST
T_fus	Outlier 191.00 ± 2.00	K	NIST
T_triple	[189.63; 189.63]	K
T_triple	189.63	K	ChemSep v8.3 pure component data Compiled value
T_triple	189.63	K	KDB
T_triple	189.63 ± 0.01	K	NIST
T_triple	189.63 ± 0.01	K	NIST
U_Qi	2.05		ChemSep v8.3 pure component data Compiled value
U_Ri	2.31		ChemSep v8.3 pure component data Compiled value
V_c	[0.210; 0.212]	m³/kmol
V_c	0.210	m³/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
V_c	0.212	m³/kmol	ChemSep v8.3 pure component data Compiled value
V_c	0.210	m³/kmol	KDB
Z_c	[0.2140000; 0.2148730]
Z_c	0.2140000		ChemSep v8.3 pure component data Compiled value
Z_c	0.2148730		KDB
Z_ra	[0.22; 0.23]
Z_ra	0.22		ChemSep v8.3 pure component data Compiled value
Z_ra	0.23		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,liquid	[98.70; 113.00]	J/mol×K	[297.00; 298.15]
C_p,liquid	106.70	J/mol×K	297.00	NIST
C_p,liquid	113.00	J/mol×K	298.00	NIST
C_p,liquid	98.70	J/mol×K	298.15	NIST
C_p,liquid	108.78	J/mol×K	298.15	NIST
η	[0.0002840; 0.0003440]	Pa×s	[298.15; 318.15]
η	0.0003440	Pa×s	298.15	Density and Viscosity of Acrylonitrile + Cinnamaldehyde, + Anisaldehyde, and + Benzaldehyde at (298.15, 308.15, and 318.15) K
η	0.0003070	Pa×s	308.15	Density and Viscosity of Acrylonitrile + Cinnamaldehyde, + Anisaldehyde, and + Benzaldehyde at (298.15, 308.15, and 318.15) K
η	0.0002840	Pa×s	318.15	Density and Viscosity of Acrylonitrile + Cinnamaldehyde, + Anisaldehyde, and + Benzaldehyde at (298.15, 308.15, and 318.15) K
Δ_fusH	[1.19; 6.23]	kJ/mol	[162.50; 189.60]
Δ_fusH	1.19	kJ/mol	162.50	NIST
Δ_fusH	6.23	kJ/mol	189.60	NIST
Δ_fusH	6.23	kJ/mol	189.60	NIST
Δ_vapH	[32.60; 35.50]	kJ/mol	[286.50; 350.50]

Δ_vapH	35.50	kJ/mol	286.50	NIST
Δ_vapH	33.60	kJ/mol	304.50	NIST
Δ_vapH	32.60	kJ/mol	313.00	NIST
Δ_vapH	32.90	kJ/mol	318.00	NIST
Δ_vapH	32.63	kJ/mol	350.50	KDB
P_vap	95.50	kPa	348.75	Vapor-liquid equilibrium and excess Gibbs energies of some binary mixtures of acrylonitrile at 95.5 kPa
n₀	[1.38880; 1.39080]		[293.15; 298.15]
n₀	1.39080		293.15	Liquid liquid equilibrium for the ternary systems of water + methanol + acrylonitrile
n₀	1.38880		298.15	Activity coefficients in binary mixtures formed by cyclohexanone with a variety of compounds at 94.7 kPa
n₀	1.38880		298.15	Bubble temperature measurements on seven binary mixtures formed by ethylbenzene at 94.7 kPa
ρ_l	[800.30; 806.00]	kg/m³	[293.00; 298.15]
ρ_l	806.00	kg/m³	293.00	KDB
ρ_l	806.00	kg/m³	293.15	Isobaric Vapor Liquid Equilibrium Data of Acrylonitrile (1) + Heptan-1-ol (2), Acrylonitrile (1) + Ethanol (2), and Nitrobenzene (1) + Heptan-1-ol (2) at 96.5 kPa
ρ_l	800.30	kg/m³	298.15	Bubble point measurements of binary mixtures formed by 1-hexanol with selected nitro-compounds and substituted benzenes at 95.6 kPa
Δ_fusS	[7.32; 32.84]	J/mol×K	[162.50; 189.60]
Δ_fusS	7.32	J/mol×K	162.50	NIST
Δ_fusS	32.84	J/mol×K	189.60	NIST
γ	0.03	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[51.49; 134.62]	J/mol×K	[200.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is C_p,gas in J/mol×K, T in K
Coefficient A			4.26510e+01
Coefficient B			-5.33040e+02
Coefficient C			4.82024e+00
Coefficient D			1.30960e-04
Coefficient E			-6.21760e-08
Temperature range, min.			200.00
Temperature range, max.			1500.00

C_p,gas	51.49	J/mol×K	200.00	Calculated Property
C_p,gas	70.05	J/mol×K	344.44	Calculated Property
C_p,gas	86.43	J/mol×K	488.89	Calculated Property
C_p,gas	99.28	J/mol×K	633.33	Calculated Property
C_p,gas	109.28	J/mol×K	777.78	Calculated Property
C_p,gas	117.10	J/mol×K	922.22	Calculated Property
C_p,gas	123.25	J/mol×K	1066.67	Calculated Property
C_p,gas	128.07	J/mol×K	1211.11	Calculated Property
C_p,gas	131.80	J/mol×K	1355.56	Calculated Property
C_p,gas	134.62	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
C_p,liquid	[101.86; 122.58]	J/mol×K	[189.63; 400.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is C_p,liquid in J/mol×K, T in K
Coefficient A			8.38470e+01
Coefficient B			2.40590e+02
Coefficient C			-1.90553e-02
Coefficient D			9.52770e-03
Coefficient E			-4.60460e-06
Temperature range, min.			189.63
Temperature range, max.			400.00

C_p,liquid	101.86	J/mol×K	189.63	Calculated Property
C_p,liquid	102.59	J/mol×K	213.00	Calculated Property
C_p,liquid	103.80	J/mol×K	236.38	Calculated Property
C_p,liquid	105.42	J/mol×K	259.75	Calculated Property
C_p,liquid	107.40	J/mol×K	283.13	Calculated Property
C_p,liquid	109.73	J/mol×K	306.50	Calculated Property
C_p,liquid	112.41	J/mol×K	329.88	Calculated Property
C_p,liquid	115.45	J/mol×K	353.25	Calculated Property
C_p,liquid	118.83	J/mol×K	376.63	Calculated Property
C_p,liquid	122.58	J/mol×K	400.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008050; 0.0001275]	Pa×s	[220.00; 435.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-5.42900e-01
Coefficient B			3.18290e+02
Coefficient C			-1.48100e+00
Coefficient D			-8.37590e-07
Coefficient E			2.00000e+00
Temperature range, min.			220.00
Temperature range, max.			435.00

η	0.0008050	Pa×s	220.00	Calculated Property
η	0.0005942	Pa×s	243.89	Calculated Property
η	0.0004558	Pa×s	267.78	Calculated Property
η	0.0003603	Pa×s	291.67	Calculated Property
η	0.0002917	Pa×s	315.56	Calculated Property
η	0.0002407	Pa×s	339.44	Calculated Property
η	0.0002018	Pa×s	363.33	Calculated Property
η	0.0001714	Pa×s	387.22	Calculated Property
η	0.0001471	Pa×s	411.11	Calculated Property
η	0.0001275	Pa×s	435.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Δ_vapH	[39.02; 0.00]	kJ/mol	[189.63; 535.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is Δ_vapH in kJ/mol, T in K
Coefficient A			5.22475e+01
Coefficient B			8.77802e-01
Coefficient C			-4.32396e-01
Coefficient D			-6.72186e-01
Coefficient E			6.07598e-01
Critical temperature, Tc (K)			5.35000e+02
Temperature range, min.			189.63
Temperature range, max.			535.00

Δ_vapH	39.02	kJ/mol	189.63	Calculated Property
Δ_vapH	37.06	kJ/mol	228.00	Calculated Property
Δ_vapH	35.26	kJ/mol	266.38	Calculated Property
Δ_vapH	33.54	kJ/mol	304.75	Calculated Property
Δ_vapH	31.80	kJ/mol	343.13	Calculated Property
Δ_vapH	29.86	kJ/mol	381.50	Calculated Property
Δ_vapH	27.48	kJ/mol	419.88	Calculated Property
Δ_vapH	24.21	kJ/mol	458.25	Calculated Property
Δ_vapH	19.03	kJ/mol	496.63	Calculated Property
Δ_vapH	0.00	kJ/mol	535.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.65]	kPa	[255.24; 374.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
Coefficient A			1.50433e+01
Coefficient B			-3.40158e+03
Coefficient C			-2.47100e+01
Temperature range, min.			255.24
Temperature range, max.			374.24

P_vap	1.33	kPa	255.24	Calculated Property
P_vap	2.97	kPa	268.46	Calculated Property
P_vap	6.09	kPa	281.68	Calculated Property
P_vap	11.64	kPa	294.91	Calculated Property
P_vap	20.93	kPa	308.13	Calculated Property
P_vap	35.74	kPa	321.35	Calculated Property
P_vap	58.30	kPa	334.57	Calculated Property
P_vap	91.37	kPa	347.80	Calculated Property
P_vap	138.22	kPa	361.02	Calculated Property
P_vap	202.65	kPa	374.24	Calculated Property
P_vap	[2.34e-03; 3627.68]	kPa	[189.63; 535.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is P_vap in kPa, T in K
Coefficient A			6.76400e+01
Coefficient B			-6.25973e+03
Coefficient C			-7.78558e+00
Coefficient D			4.08032e-06
Coefficient E			2.00000e+00
Temperature range, min.			189.63
Temperature range, max.			535.00

P_vap	2.34e-03	kPa	189.63	Calculated Property
P_vap	0.15	kPa	228.00	Calculated Property
P_vap	2.58	kPa	266.38	Calculated Property
P_vap	19.09	kPa	304.75	Calculated Property
P_vap	83.45	kPa	343.13	Calculated Property
P_vap	256.55	kPa	381.50	Calculated Property
P_vap	617.84	kPa	419.88	Calculated Property
P_vap	1250.48	kPa	458.25	Calculated Property
P_vap	2231.00	kPa	496.63	Calculated Property
P_vap	3627.68	kPa	535.00	Calculated Property
P_vap	[3.78e-03; 4442.70]	kPa	[189.63; 535.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is P_vap in kPa, T in K
Coefficient A			7.37047e+01
Coefficient B			-6.15193e+03
Coefficient C			-8.99499e+00
Coefficient D			9.44061e-06
Coefficient E			0.00000e+00
Temperature range, min.			189.63
Temperature range, max.			535.00

P_vap	3.78e-03	kPa	189.63	Calculated Property
P_vap	0.20	kPa	228.00	Calculated Property
P_vap	2.84	kPa	266.38	Calculated Property
P_vap	19.07	kPa	304.75	Calculated Property
P_vap	79.33	kPa	343.13	Calculated Property
P_vap	241.28	kPa	381.50	Calculated Property
P_vap	594.63	kPa	419.88	Calculated Property
P_vap	1269.47	kPa	458.25	Calculated Property
P_vap	2455.92	kPa	496.63	Calculated Property
P_vap	4442.70	kPa	535.00	Calculated Property
P_vap	[11.60; 76.87]	kPa	[293.00; 343.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
Coefficient A			1.08131e+01
Coefficient B			-1.43054e+03
Coefficient C			-1.21929e+02
Reference			Gubkov, Fermor, et al., 1964, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			293.00
Temperature range, max.			343.00

P_vap	11.60	kPa	293.00	Calculated Property
P_vap	15.09	kPa	298.56	Calculated Property
P_vap	19.31	kPa	304.11	Calculated Property
P_vap	24.37	kPa	309.67	Calculated Property
P_vap	30.33	kPa	315.22	Calculated Property
P_vap	37.30	kPa	320.78	Calculated Property
P_vap	45.36	kPa	326.33	Calculated Property
P_vap	54.58	kPa	331.89	Calculated Property
P_vap	65.06	kPa	337.44	Calculated Property
P_vap	76.87	kPa	343.00	Calculated Property
P_vap	[0.12; 100.93]	kPa	[222.00; 351.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
Coefficient A			1.39689e+01
Coefficient B			-2.89191e+03
Coefficient C			-4.18530e+01
Reference			Sevrugova, Sokorskii, et al., 1964, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			222.00
Temperature range, max.			351.00

P_vap	0.12	kPa	222.00	Calculated Property
P_vap	0.41	kPa	236.33	Calculated Property
P_vap	1.13	kPa	250.67	Calculated Property
P_vap	2.74	kPa	265.00	Calculated Property
P_vap	6.00	kPa	279.33	Calculated Property
P_vap	12.00	kPa	293.67	Calculated Property
P_vap	22.27	kPa	308.00	Calculated Property
P_vap	38.80	kPa	322.33	Calculated Property
P_vap	64.05	kPa	336.67	Calculated Property
P_vap	100.93	kPa	351.00	Calculated Property
P_vap	[11.60; 76.87]	kPa	[293.00; 343.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
Coefficient A			1.08131e+01
Coefficient B			-1.43054e+03
Coefficient C			-1.21929e+02
Reference			Gubkov, Fermor, et al., 1964
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			293.00
Temperature range, max.			343.00

P_vap	11.60	kPa	293.00	Calculated Property
P_vap	15.09	kPa	298.56	Calculated Property
P_vap	19.31	kPa	304.11	Calculated Property
P_vap	24.37	kPa	309.67	Calculated Property
P_vap	30.33	kPa	315.22	Calculated Property
P_vap	37.30	kPa	320.78	Calculated Property
P_vap	45.36	kPa	326.33	Calculated Property
P_vap	54.58	kPa	331.89	Calculated Property
P_vap	65.06	kPa	337.44	Calculated Property
P_vap	76.87	kPa	343.00	Calculated Property
P_vap	[0.12; 100.93]	kPa	[222.00; 351.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is P_vap in kPa, T in K
Coefficient A			1.39689e+01
Coefficient B			-2.89191e+03
Coefficient C			-4.18530e+01
Reference			Sevrugova, Sokorskii, et al., 1964
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			222.00
Temperature range, max.			351.00

P_vap	0.12	kPa	222.00	Calculated Property
P_vap	0.41	kPa	236.33	Calculated Property
P_vap	1.13	kPa	250.67	Calculated Property
P_vap	2.74	kPa	265.00	Calculated Property
P_vap	6.00	kPa	279.33	Calculated Property
P_vap	12.00	kPa	293.67	Calculated Property
P_vap	22.27	kPa	308.00	Calculated Property
P_vap	38.80	kPa	322.33	Calculated Property
P_vap	64.05	kPa	336.67	Calculated Property
P_vap	100.93	kPa	351.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρ_l	[916.14; 250.29]	kg/m³	[189.63; 535.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρ_l in kg/m³, T in K
Coefficient A			5.73925e+01
Coefficient B			2.29300e-01
Coefficient C			5.35000e+02
Coefficient D			2.89390e-01
Temperature range, min.			189.63
Temperature range, max.			535.00

ρ_l	916.14	kg/m³	189.63	Calculated Property
ρ_l	877.16	kg/m³	228.00	Calculated Property
ρ_l	836.44	kg/m³	266.38	Calculated Property
ρ_l	793.55	kg/m³	304.75	Calculated Property
ρ_l	747.86	kg/m³	343.13	Calculated Property
ρ_l	698.38	kg/m³	381.50	Calculated Property
ρ_l	643.42	kg/m³	419.88	Calculated Property
ρ_l	579.56	kg/m³	458.25	Calculated Property
ρ_l	497.53	kg/m³	496.63	Calculated Property
ρ_l	250.29	kg/m³	535.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.02]	N/m	[189.65; 350.45]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			6.17571e-02
Coefficient B			-1.17800e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			189.65
Temperature range, max.			350.45

γ	0.04	N/m	189.65	Calculated Property
γ	0.04	N/m	207.52	Calculated Property
γ	0.04	N/m	225.38	Calculated Property
γ	0.03	N/m	243.25	Calculated Property
γ	0.03	N/m	261.12	Calculated Property
γ	0.03	N/m	278.98	Calculated Property
γ	0.03	N/m	296.85	Calculated Property
γ	0.02	N/m	314.72	Calculated Property
γ	0.02	N/m	332.58	Calculated Property
γ	0.02	N/m	350.45	Calculated Property
γ	[0.04; 2.81e-05]	N/m	[189.63; 533.96]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-3.14680e-02
Coefficient B			1.31520e+01
Coefficient C			-2.53630e+00
Coefficient D			-4.27820e-04
Coefficient E			-2.51750e-06
Comment			Range stopped where the equation turns negative; ChemSep gives it to 535 K.
Temperature range, min.			189.63
Temperature range, max.			533.96

γ	0.04	N/m	189.63	Calculated Property
γ	0.04	N/m	227.89	Calculated Property
γ	0.03	N/m	266.15	Calculated Property
γ	0.03	N/m	304.41	Calculated Property
γ	0.02	N/m	342.67	Calculated Property
γ	0.02	N/m	380.93	Calculated Property
γ	0.01	N/m	419.19	Calculated Property
γ	0.01	N/m	457.45	Calculated Property
γ	0.00	N/m	495.70	Calculated Property
γ	2.81e-05	N/m	533.96	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ_gas	[0.00; 0.11]	W/m×K	[189.63; 990.50]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ_gas in W/m×K, T in K
Coefficient A			1.23170e-03
Coefficient B			1.24720e+00
Coefficient C			6.08630e+04
Coefficient D			-1.96860e+06
Temperature range, min.			189.63
Temperature range, max.			990.50

λ_gas	0.00	W/m×K	189.63	Calculated Property
λ_gas	0.01	W/m×K	278.62	Calculated Property
λ_gas	0.01	W/m×K	367.60	Calculated Property
λ_gas	0.02	W/m×K	456.59	Calculated Property
λ_gas	0.03	W/m×K	545.57	Calculated Property
λ_gas	0.04	W/m×K	634.56	Calculated Property
λ_gas	0.06	W/m×K	723.54	Calculated Property
λ_gas	0.07	W/m×K	812.53	Calculated Property
λ_gas	0.09	W/m×K	901.51	Calculated Property
λ_gas	0.11	W/m×K	990.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ_liquid	[0.21; 0.14]	W/m×K	[189.63; 350.50]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λ_liquid in W/m×K, T in K
Coefficient A			-1.56690e-01
Coefficient B			1.92200e+01
Coefficient C			-1.07210e+00
Coefficient D			2.58710e-04
Coefficient E			-2.25820e-06
Temperature range, min.			189.63
Temperature range, max.			350.50

λ_liquid	0.21	W/m×K	189.63	Calculated Property
λ_liquid	0.20	W/m×K	207.50	Calculated Property
λ_liquid	0.20	W/m×K	225.38	Calculated Property
λ_liquid	0.19	W/m×K	243.25	Calculated Property
λ_liquid	0.18	W/m×K	261.13	Calculated Property
λ_liquid	0.17	W/m×K	279.00	Calculated Property
λ_liquid	0.17	W/m×K	296.88	Calculated Property
λ_liquid	0.16	W/m×K	314.75	Calculated Property
λ_liquid	0.15	W/m×K	332.63	Calculated Property
λ_liquid	0.14	W/m×K	350.50	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenenitrile.

Mixtures

Sources

KDB Vapor Pressure Data
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).
IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 ChEDL chemicals 1.5.2, from Marsh, K. N.; Young, C. L.; Morton, D. W.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 9. Organic Compounds Containing Nitrogen. J. Chem. Eng. Data 2006, 51, 305-314.
Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
Crippen Method
Activity coefficients in binary mixtures formed by cyclohexanone with a variety of compounds at 94.7 kPa
Vapor-liquid equilibrium and excess Gibbs energies of some binary mixtures of acrylonitrile at 95.5 kPa
Bubble point measurements of binary mixtures formed by 1-hexanol with selected nitro-compounds and substituted benzenes at 95.6 kPa
Bubble temperature measurements on seven binary mixtures formed by ethylbenzene at 94.7 kPa
Liquid liquid equilibrium for the ternary systems of water + methanol + acrylonitrile
Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
Isobaric Vapor Liquid Equilibrium Data of Acrylonitrile (1) + Heptan-1-ol (2), Acrylonitrile (1) + Ethanol (2), and Nitrobenzene (1) + Heptan-1-ol (2) at 96.5 kPa
Phase Equilibria of Acrylonitrile and p-Bromobenzaldehyde in Carbon Dioxide
Density and Viscosity of Acrylonitrile + Cinnamaldehyde, + Anisaldehyde, and + Benzaldehyde at (298.15, 308.15, and 318.15) K
Joback Method
KDB
Aqueous Solubility Prediction Method
Estimated Solubility Method
McGowan Method
NIST Webbook
The Yaws Handbook of Vapor Pressure

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Chemical Properties of 2-Propenenitrile (CAS 107-13-1)