- InChI
- InChI=1S/C11H11NO3/c1-2-7-14-11(13)15-10-5-3-9(8-12)4-6-10/h3-6H,2,7H2,1H3
- InChI Key
- HNTXLUOVSCFGEY-UHFFFAOYSA-N
- Formula
- C11H11NO3
- SMILES
- CCCOC(=O)Oc1ccc(C#N)cc1
- Molecular Weight1
- 205.21
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -61.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -257.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 2.484 | Crippen Calculated Property | |
| McVol | 156.780 | ml/mol | McGowan Calculated Property |
| Pc | 2619.09 | kPa | Joback Calculated Property |
| Inp | 1642.00 | NIST | |
| Tboil | 683.53 | K | Joback Calculated Property |
| Tc | 904.98 | K | Joback Calculated Property |
| Tfus | 412.05 | K | Joback Calculated Property |
| Vc | 0.612 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.58; 451.66] | J/mol×K | [683.53; 904.98] | 
|
| Cp,gas | 394.58 | J/mol×K | 683.53 | Joback Calculated Property |
| Cp,gas | 405.99 | J/mol×K | 720.44 | Joback Calculated Property |
| Cp,gas | 416.64 | J/mol×K | 757.35 | Joback Calculated Property |
| Cp,gas | 426.53 | J/mol×K | 794.25 | Joback Calculated Property |
| Cp,gas | 435.67 | J/mol×K | 831.16 | Joback Calculated Property |
| Cp,gas | 444.04 | J/mol×K | 868.07 | Joback Calculated Property |
| Cp,gas | 451.66 | J/mol×K | 904.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, propyl 4-cyanophenyl ester.
Sources
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