- InChI
- InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3
- InChI Key
- FPPLREPCQJZDAQ-UHFFFAOYSA-N
- Formula
- C6H8N2
- SMILES
- CC(C#N)CCC#N
- Molecular Weight1
- 108.14
- CAS
- 4553-62-2
- Other Names
-
- 1,3-Dicyanobutane
- 1,5-VALERODINITRILE
- 1,5-Valerodinitrile, 2-methyl-
- 2,4-Dicyanobutane
- 2-METHYL PENTANEDINITRILE
- 2-Methyl glutarodinitrile
- 2-Methylglutaronitrile
- Diacrylonitrile
- Glutaronitrile, 2-methyl-
- METHYLGLUTARONITRILE
- MGN
- «alpha»-Methylglutarodinitrile
- «alpha»-Methylglutaronitrile
- «alpha»-Methylglutarodinitrile
- «alpha»-Methylglutaronitrile
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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 |
|---|---|---|---|
| ω | 0.4797 | Relay (1.0) Calculated Property | |
| ΔfG° | 263.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 136.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.450 | Crippen Calculated Property | |
| McVol | 98.160 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| Tboil | 492.47 | K | Relay (1.0) Calculated Property |
| Tc | 660.07 | K | Relay (1.0) Calculated Property |
| Tfus | 254.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.365 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.80; 249.98] | J/mol×K | [540.40; 753.09] | 
|
| Cp,gas | 208.80 | J/mol×K | 540.40 | Joback Calculated Property |
| Cp,gas | 216.64 | J/mol×K | 575.85 | Joback Calculated Property |
| Cp,gas | 224.07 | J/mol×K | 611.30 | Joback Calculated Property |
| Cp,gas | 231.11 | J/mol×K | 646.74 | Joback Calculated Property |
| Cp,gas | 237.77 | J/mol×K | 682.19 | Joback Calculated Property |
| Cp,gas | 244.05 | J/mol×K | 717.64 | Joback Calculated Property |
| Cp,gas | 249.98 | J/mol×K | 753.09 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 400.70 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.62] | kPa | [403.97; 478.05] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.78976e+01 | |||
| Coefficient B | -9.19620e+03 | |||
| Coefficient C | -7.08910e+01 | |||
| Temperature range, min. | 403.97 | |||
| Temperature range, max. | 478.05 | |||
| Pvap | 1.33 | kPa | 403.97 | Calculated Property |
| Pvap | 2.60 | kPa | 412.20 | Calculated Property |
| Pvap | 4.90 | kPa | 420.43 | Calculated Property |
| Pvap | 8.97 | kPa | 428.66 | Calculated Property |
| Pvap | 15.98 | kPa | 436.89 | Calculated Property |
| Pvap | 27.78 | kPa | 445.13 | Calculated Property |
| Pvap | 47.14 | kPa | 453.36 | Calculated Property |
| Pvap | 78.23 | kPa | 461.59 | Calculated Property |
| Pvap | 127.14 | kPa | 469.82 | Calculated Property |
| Pvap | 202.62 | kPa | 478.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanedinitrile, 2-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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