- InChI
- InChI=1S/C11H11NO2/c1-2-3-11(13)14-10-6-4-9(8-12)5-7-10/h4-7H,2-3H2,1H3
- InChI Key
- UQWSXHNINZRCTC-UHFFFAOYSA-N
- Formula
- C11H11NO2
- SMILES
- CCCC(=O)Oc1ccc(C#N)cc1
- Molecular Weight1
- 189.21
- CAS
- 29052-10-6
- Other Names
-
- 4-Cyanophenyl butyrate
- Butyric acid, 4-cyanophenyl ester
- 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° | 43.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -125.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.65 | kJ/mol | Joback Calculated Property |
| log10WS | -2.98 | Crippen Calculated Property | |
| logPoct/wat | 2.264 | Crippen Calculated Property | |
| McVol | 150.910 | ml/mol | McGowan Calculated Property |
| Pc | 2665.27 | kPa | Joback Calculated Property |
| Inp | [1512.00; 1512.00] |
|
|
| Inp | 1512.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Tboil | 661.11 | K | Joback Calculated Property |
| Tc | 885.39 | K | Joback Calculated Property |
| Tfus | 389.82 | K | Joback Calculated Property |
| Vc | 0.594 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.89; 429.19] | J/mol×K | [661.11; 885.39] |
|
| Cp,gas | 370.89 | J/mol×K | 661.11 | Joback Calculated Property |
| Cp,gas | 382.46 | J/mol×K | 698.49 | Joback Calculated Property |
| Cp,gas | 393.27 | J/mol×K | 735.87 | Joback Calculated Property |
| Cp,gas | 403.33 | J/mol×K | 773.25 | Joback Calculated Property |
| Cp,gas | 412.66 | J/mol×K | 810.63 | Joback Calculated Property |
| Cp,gas | 421.28 | J/mol×K | 848.01 | Joback Calculated Property |
| Cp,gas | 429.19 | J/mol×K | 885.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, ester with p-hydroxybenzonitrile.
Sources
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