- InChI
- InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2
- InChI Key
- IAHFWCOBPZCAEA-UHFFFAOYSA-N
- Formula
- C4H4N2
- SMILES
- N#CCCC#N
- Molecular Weight1
- 80.09
- CAS
- 110-61-2
- Other Names
-
- 1,2-DICYANOETHANE
- 1,4-Butanedinitrile
- Deprelin
- Dician
- Dinile
- Disuxyl
- ETHYLENE DICYANIDE
- Ethane, 1,2-dicyano-
- Ethylene cyanide
- Evanex
- NCCH2CH2CN
- NSC 4852
- SUCCINONITRILE
- Succinic acid dinitrile
- Succinic acid nitrile
- Succinic dinitrile
- Succinil
- Succinodinitrile
- Sukcinonitril
- Suxil
- USAF A-9442
- s-Dicyanoethane
- sym-Dicyanoethane
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -2285.40 ± 0.59 | kJ/mol | NIST |
| EA | [0.02; 0.11] | eV |
|
| EA | 0.11 ± 0.01 | eV | NIST |
| EA | 0.02 ± 0.00 | eV | NIST |
| ΔfG° | 249.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 209.70 ± 0.88 | kJ/mol | NIST |
| ΔfH°solid | 139.70 ± 0.67 | kJ/mol | NIST |
| ΔfusH° | [3.70; 3.75] | kJ/mol |
|
| ΔfusH° | 3.75 | kJ/mol | Fusion ... |
| ΔfusH° | 3.70 | kJ/mol | Thermal... |
| ΔsubH° | 70.00 | kJ/mol | NIST |
| ΔvapH° | 45.45 | kJ/mol | Joback Calculated Property |
| IE | 12.10 ± 0.25 | eV | NIST |
| log10WS | -1.23 | Crippen Calculated Property | |
| logPoct/wat | 0.814 | Crippen Calculated Property | |
| McVol | 69.980 | ml/mol | McGowan Calculated Property |
| Pc | 3664.21 | kPa | Joback Calculated Property |
| S°solid,1 bar | 191.59 | J/mol×K | NIST |
| Tboil | 539.20 | K | NIST |
| Tc | 709.86 | K | Joback Calculated Property |
| Tfus | [326.00; 334.00] | K |
|
| Tfus | 334.00 ± 1.00 | K | NIST |
| Tfus | 334.00 ± 1.00 | K | NIST |
| Tfus | 330.60 ± 0.50 | K | NIST |
| Tfus | 330.62 ± 0.25 | K | NIST |
| Tfus | 331.25 ± 0.15 | K | NIST |
| Tfus | 326.00 ± 4.00 | K | NIST |
| Tfus | 330.05 ± 0.20 | K | NIST |
| Tfus | 326.00 ± 3.00 | K | NIST |
| Tfus | 330.10 ± 0.60 | K | NIST |
| Tfus | 330.32 ± 0.30 | K | NIST |
| Tfus | 328.15 ± 1.00 | K | NIST |
| Ttriple | [331.16; 331.23] | K |
|
| Ttriple | 331.22 ± 0.01 | K | NIST |
| Ttriple | 331.23 ± 0.01 | K | NIST |
| Ttriple | 331.23 ± 0.00 | K | NIST |
| Ttriple | 331.16 ± 0.02 | K | NIST |
| Vc | 0.311 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [129.29; 155.23] | J/mol×K | [495.08; 709.86] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 130 135 140 145 150 155 500 600 700 | ||||
| Cp,gas | 129.29 | J/mol×K | 495.08 | Joback Calculated Property |
| Cp,gas | 134.19 | J/mol×K | 530.88 | Joback Calculated Property |
| Cp,gas | 138.85 | J/mol×K | 566.67 | Joback Calculated Property |
| Cp,gas | 143.28 | J/mol×K | 602.47 | Joback Calculated Property |
| Cp,gas | 147.48 | J/mol×K | 638.26 | Joback Calculated Property |
| Cp,gas | 151.46 | J/mol×K | 674.06 | Joback Calculated Property |
| Cp,gas | 155.23 | J/mol×K | 709.86 | Joback Calculated Property |
| Cp,solid | 145.60 | J/mol×K | 298.15 | NIST |
| ΔfusH | [3.70; 6.20] | kJ/mol | [177.50; 334.00] |
|
|
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 3.5 4 4.5 5 5.5 6 200 250 300 | ||||
| ΔfusH | 3.70 | kJ/mol | 177.50 | NIST |
| ΔfusH | 6.20 | kJ/mol | 233.30 | NIST |
| ΔfusH | 3.70 | kJ/mol | 329.70 | NIST |
| ΔfusH | 3.75 | kJ/mol | 330.30 | NIST |
| ΔfusH | 3.70 | kJ/mol | 331.20 | NIST |
| ΔfusH | 3.70 | kJ/mol | 334.00 | NIST |
| ΔsubH | 70.00 ± 0.30 | kJ/mol | 288.50 | NIST |
| ΔfusS | [11.10; 26.57] | J/mol×K | [233.30; 334.00] |
|
| ΔfusS | 26.57 | J/mol×K | 233.30 | NIST |
| ΔfusS | 11.21 | J/mol×K | 331.20 | NIST |
| ΔfusS | 11.10 | J/mol×K | 334.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 207.97] | kPa | [408.19; 572.01] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52708e+01 | |||
| Coefficient B | -4.82831e+03 | |||
| Coefficient C | -8.59420e+01 | |||
| Temperature range, min. | 408.19 | |||
| Temperature range, max. | 572.01 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 450 500 550 | ||||
| Pvap | 1.33 | kPa | 408.19 | Calculated Property |
| Pvap | 2.97 | kPa | 426.39 | Calculated Property |
| Pvap | 6.10 | kPa | 444.59 | Calculated Property |
| Pvap | 11.69 | kPa | 462.80 | Calculated Property |
| Pvap | 21.09 | kPa | 481.00 | Calculated Property |
| Pvap | 36.14 | kPa | 499.20 | Calculated Property |
| Pvap | 59.16 | kPa | 517.40 | Calculated Property |
| Pvap | 93.05 | kPa | 535.61 | Calculated Property |
| Pvap | 141.31 | kPa | 553.81 | Calculated Property |
| Pvap | 207.97 | kPa | 572.01 | Calculated Property |
| Pvap | [1.53e-04; 3321.41] | kPa | [279.15; 770.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 4.32550e+01 | |||
| Coefficient B | -9.16780e+03 | |||
| Coefficient C | -3.39283e+00 | |||
| Coefficient D | -1.16457e-06 | |||
| Temperature range, min. | 279.15 | |||
| Temperature range, max. | 770.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 400 600 | ||||
| Pvap | 1.53e-04 | kPa | 279.15 | Calculated Property |
| Pvap | 0.02 | kPa | 333.69 | Calculated Property |
| Pvap | 0.47 | kPa | 388.23 | Calculated Property |
| Pvap | 5.20 | kPa | 442.77 | Calculated Property |
| Pvap | 31.98 | kPa | 497.31 | Calculated Property |
| Pvap | 129.99 | kPa | 551.84 | Calculated Property |
| Pvap | 390.84 | kPa | 606.38 | Calculated Property |
| Pvap | 937.48 | kPa | 660.92 | Calculated Property |
| Pvap | 1889.64 | kPa | 715.46 | Calculated Property |
| Pvap | 3321.41 | kPa | 770.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanedinitrile.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Fusion and solid-to-solid transitions of a homologous series of alkane-a,w-dinitriles
- Thermal, solid liquid equilibrium, crystallization, and microstructural studies of organic monotectic alloy: 4,4 -Dibromobiphenyl succinonitrile
- Liquid-Liquid Equilibria in Binary Mixtures of Water with Malonitrile, Succinonitrile, and Glutaronitrile
- Temperature Dependence of the Relative Static Permittivity of Homologous Series of Liquid 1,n-Dicyanoalkanes N=C (CH2)n C=N, n = 2 to 6
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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