- InChI
- InChI=1S/C7H11NO2/c1-10-7(9)6-3-2-4-8-5-6/h3,8H,2,4-5H2,1H3
- InChI Key
- DYPLDWLIOGXSSE-UHFFFAOYSA-N
- Formula
- C7H11NO2
- SMILES
- COC(=O)C1=CCCNC1
- Molecular Weight1
- 141.17
- CAS
- 495-19-2
- 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 | 0.4236 | Relay (1.0) Calculated Property | |
| ΔfG° | -85.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -262.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.079 | Crippen Calculated Property | |
| McVol | 111.750 | ml/mol | McGowan Calculated Property |
| Pc | 4109.14 | kPa | Joback Calculated Property |
| Inp | [1250.30; 1250.30] |
|
|
| Inp | 1250.30 | NIST | |
| Inp | 1250.30 | NIST | |
| Tboil | 487.15 | K | Relay (1.0) Calculated Property |
| Tc | 696.98 | K | Relay (1.0) Calculated Property |
| Tfus | 323.43 | K | Relay (1.0) Calculated Property |
| Vc | 0.385 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.38; 312.76] | J/mol×K | [512.76; 737.11] |
|
| Cp,gas | 243.38 | J/mol×K | 512.76 | Joback Calculated Property |
| Cp,gas | 256.60 | J/mol×K | 550.15 | Joback Calculated Property |
| Cp,gas | 269.16 | J/mol×K | 587.54 | Joback Calculated Property |
| Cp,gas | 281.06 | J/mol×K | 624.94 | Joback Calculated Property |
| Cp,gas | 292.30 | J/mol×K | 662.33 | Joback Calculated Property |
| Cp,gas | 302.86 | J/mol×K | 699.72 | Joback Calculated Property |
| Cp,gas | 312.76 | J/mol×K | 737.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Guvacoline.
Sources
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