Chemical Properties of Cyclopropanecarbonitrile (CAS 5500-21-0)

InChI

InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2

InChI Key

AUQDITHEDVOTCU-UHFFFAOYSA-N

Formula

C4H5N

SMILES

N#CC1CC1

Molecular Weight¹

67.09

CAS

5500-21-0

Other Names

• Cyanocyclopropane
• Cyclopropanecarboxylic acid nitrile
• Cyclopropanenitrile
• Cyclopropylnitrile
• cyclopropyl cyanide

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• 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).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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_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).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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
ω	0.3335		Relay (1.0) Calculated Property
PAff	808.20	kJ/mol	NIST
BasG	777.50	kJ/mol	NIST
ΔcH°liquid	[-2433.00; -2429.40]	kJ/mol
ΔcH°liquid	-2429.40 ± 0.71	kJ/mol	NIST
ΔcH°liquid	-2433.00	kJ/mol	NIST
ΔfG°	176.73	kJ/mol	Joback Calculated Property
ΔfH°gas	[180.60; 182.70]	kJ/mol
ΔfH°gas	182.70 ± 0.70	kJ/mol	NIST
ΔfH°gas	180.60	kJ/mol	NIST
ΔfH°liquid	140.80	kJ/mol	NIST
ΔfusH°	5.76	kJ/mol	Joback Calculated Property
ΔvapH°	[39.80; 41.97]	kJ/mol
ΔvapH°	41.97	kJ/mol	NIST
ΔvapH°	41.94 ± 0.11	kJ/mol	NIST
ΔvapH°	41.90 ± 0.10	kJ/mol	NIST
ΔvapH°	39.80 ± 0.40	kJ/mol	NIST
ΔvapH°	39.80	kJ/mol	NIST
ΔvapH°	39.80	kJ/mol	NIST
IE	[10.25; 11.20]	eV
IE	10.25	eV	NIST
IE	11.20 ± 0.20	eV	NIST
log10WS	-0.96		Relay (1.0) Calculated Property
logPoct/wat	0.920		Crippen Calculated Property
McVol	57.740	ml/mol	McGowan Calculated Property
Pc	4462.28	kPa	Joback Calculated Property
Inp	[644.00; 684.00]
Inp	684.00		NIST
Inp	645.00		NIST
Inp	644.00		NIST
Inp	684.00		NIST
Tboil	[404.90; 408.20]	K
Tboil	408.20	K	NIST
Tboil	407.50 ± 0.50	K	NIST
Tboil	408.20	K	NIST
Tboil	404.90 ± 3.00	K	NIST
Tc	584.81	K	Relay (1.0) Calculated Property
Tfus	272.25	K	Relay (1.0) Calculated Property
Vc	0.220	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[100.75; 139.13]	J/mol×K	[399.74; 609.13]
Cp,gas	100.75	J/mol×K	399.74	Joback Calculated Property
Cp,gas	108.34	J/mol×K	434.64	Joback Calculated Property
Cp,gas	115.41	J/mol×K	469.54	Joback Calculated Property
Cp,gas	122.00	J/mol×K	504.44	Joback Calculated Property
Cp,gas	128.12	J/mol×K	539.33	Joback Calculated Property
Cp,gas	133.82	J/mol×K	574.23	Joback Calculated Property
Cp,gas	139.13	J/mol×K	609.13	Joback Calculated Property
Cp,liquid	115.40	J/mol×K	297.00	NIST
ΔvapH	[35.55; 39.40]	kJ/mol	[350.50; 408.20]
ΔvapH	39.40	kJ/mol	350.50	NIST
ΔvapH	35.55	kJ/mol	408.20	NIST
Pvap	[35.20; 102.20]	kPa	[373.10; 408.15]
Pvap	35.20	kPa	373.10	Phase Equilibria on Four Binary Systems: 1,2-Dichloroethane + trans-1,2-Dichloroethylene, 1-Octene + 2-Methyl Thiophene, 2-Ethyl Thiophene + 2,2,4-Trimethylpentane, and Cyclopropanecarbonitrile + Water
Pvap	102.20	kPa	408.15	Phase Equilibria on Four Binary Systems: 1,2-Dichloroethane + trans-1,2-Dichloroethylene, 1-Octene + 2-Methyl Thiophene, 2-Ethyl Thiophene + 2,2,4-Trimethylpentane, and Cyclopropanecarbonitrile + Water

Similar Compounds

Find more compounds similar to Cyclopropanecarbonitrile.

Mixtures

• Water + Cyclopropanecarbonitrile

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Phase Equilibria on Four Binary Systems: 1,2-Dichloroethane + trans-1,2-Dichloroethylene, 1-Octene + 2-Methyl Thiophene, 2-Ethyl Thiophene + 2,2,4-Trimethylpentane, and Cyclopropanecarbonitrile + Water
• Joback Method
• McGowan Method
• NIST Webbook

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