- InChI
- InChI=1S/C6H11NO3/c1-8-6(9-2,10-3)4-5-7/h4H2,1-3H3
- InChI Key
- IPJDXQYLAATRJK-UHFFFAOYSA-N
- Formula
- C6H11NO3
- SMILES
- COC(CC#N)(OC)OC
- Molecular Weight1
- 145.16
- CAS
- 70138-31-7
- 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° | -179.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -407.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.90 ± 4.20 | kJ/mol | NIST |
| log10WS | -0.56 | Crippen Calculated Property | |
| logPoct/wat | 0.493 | Crippen Calculated Property | |
| McVol | 114.390 | ml/mol | McGowan Calculated Property |
| Pc | 2918.68 | kPa | Joback Calculated Property |
| Tboil | 502.79 | K | Joback Calculated Property |
| Tc | 700.43 | K | Joback Calculated Property |
| Tfus | 291.48 | K | Joback Calculated Property |
| Vc | 0.441 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.32; 310.63] | J/mol×K | [502.79; 700.43] | 
|
| Cp,gas | 257.32 | J/mol×K | 502.79 | Joback Calculated Property |
| Cp,gas | 267.17 | J/mol×K | 535.73 | Joback Calculated Property |
| Cp,gas | 276.64 | J/mol×K | 568.67 | Joback Calculated Property |
| Cp,gas | 285.73 | J/mol×K | 601.61 | Joback Calculated Property |
| Cp,gas | 294.43 | J/mol×K | 634.55 | Joback Calculated Property |
| Cp,gas | 302.73 | J/mol×K | 667.49 | Joback Calculated Property |
| Cp,gas | 310.63 | J/mol×K | 700.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,3,3-Trimethoxypropionitrile.
Sources
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