- InChI
- InChI=1S/C6H6N2O2/c1-5(9)10-6(2,3-7)4-8/h1-2H3
- InChI Key
- OSNAAKXQIFQLNS-UHFFFAOYSA-N
- Formula
- C6H6N2O2
- SMILES
- CC(=O)OC(C)(C#N)C#N
- Molecular Weight1
- 138.12
- CAS
- 7790-01-4
- Other Names
-
- Tartrononitrile, methyl-, acetate (ester)
- «alpha»,«alpha»-Dicyanoethyl acetate
- Malononitrile, hydroxymethyl-, acetate (ester)
- 1-Acetoxxy-1,1-dicyanoethane
- 1-Acetoxy-1,1-dicyanoethane
- 1,1-Dicyanoethyl acetate
- 2-Acetoxyisosuccinodinitrile
- Tartrononitrile, methyl-, acetate
- Acetic acid 1,1-dicyanoethyl ester
- 1,1-Dikyanethylester kyseliny octove
- Methylacetoxymalonitrile
- Methylacetoxymalononitrile
- NSC 6394
- Propanedinitrile, 2-(acetyloxy)-2-methyl-
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ΔfG° | 34.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -90.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.77 | kJ/mol | Joback Calculated Property |
| log10WS | -1.04 | Crippen Calculated Property | |
| logPoct/wat | 0.355 | Crippen Calculated Property | |
| McVol | 105.600 | ml/mol | McGowan Calculated Property |
| Pc | 3159.72 | kPa | Joback Calculated Property |
| Tboil | 613.90 | K | Joback Calculated Property |
| Tc | 840.26 | K | Joback Calculated Property |
| Tfus | 361.94 | K | Joback Calculated Property |
| Vc | 0.436 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.62; 274.92] | J/mol×K | [613.90; 840.26] | 
|
| Cp,gas | 239.62 | J/mol×K | 613.90 | Joback Calculated Property |
| Cp,gas | 246.69 | J/mol×K | 651.63 | Joback Calculated Property |
| Cp,gas | 253.25 | J/mol×K | 689.35 | Joback Calculated Property |
| Cp,gas | 259.34 | J/mol×K | 727.08 | Joback Calculated Property |
| Cp,gas | 264.97 | J/mol×K | 764.81 | Joback Calculated Property |
| Cp,gas | 270.16 | J/mol×K | 802.54 | Joback Calculated Property |
| Cp,gas | 274.92 | J/mol×K | 840.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanedinitrile, (acetyloxy)methyl-.
Sources
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