- InChI
- InChI=1S/C7H13NO/c1-6(2)9-5-7(3)4-8/h6-7H,5H2,1-3H3
- InChI Key
- XQKSXHAHCPLSIV-UHFFFAOYSA-N
- Formula
- C7H13NO
- SMILES
- CC(C#N)COC(C)C
- Molecular Weight1
- 127.18
- 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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ω | 0.4407 | Relay (1.0) Calculated Property | |
| ΔfG° | 31.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.571 | Crippen Calculated Property | |
| McVol | 116.740 | ml/mol | McGowan Calculated Property |
| Pc | 2724.01 | kPa | Joback Calculated Property |
| Inp | [915.00; 915.00] |
|
|
| Inp | 915.00 | NIST | |
| Inp | 915.00 | NIST | |
| Inp | 915.00 | NIST | |
| Tboil | 450.14 | K | Relay (1.0) Calculated Property |
| Tc | 601.69 | K | Relay (1.0) Calculated Property |
| Tfus | 231.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.433 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.94; 311.33] | J/mol×K | [483.18; 677.62] |
|
| Cp,gas | 251.94 | J/mol×K | 483.18 | Joback Calculated Property |
| Cp,gas | 262.91 | J/mol×K | 515.59 | Joback Calculated Property |
| Cp,gas | 273.46 | J/mol×K | 547.99 | Joback Calculated Property |
| Cp,gas | 283.57 | J/mol×K | 580.40 | Joback Calculated Property |
| Cp,gas | 293.25 | J/mol×K | 612.80 | Joback Calculated Property |
| Cp,gas | 302.50 | J/mol×K | 645.21 | Joback Calculated Property |
| Cp,gas | 311.33 | J/mol×K | 677.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanenitrile, 2-methyl-3-(1-methylethyloxy).
Sources
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