- InChI
- InChI=1S/C15H17NO2/c16-11-13-5-8-14(9-6-13)18-15(17)10-7-12-3-1-2-4-12/h5-6,8-9,12H,1-4,7,10H2
- InChI Key
- FJXLIHSGNBYYPJ-UHFFFAOYSA-N
- Formula
- C15H17NO2
- SMILES
- N#Cc1ccc(OC(=O)CCC2CCCC2)cc1
- Molecular Weight1
- 243.30
- 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° | 114.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.81 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 3.434 | Crippen Calculated Property | |
| McVol | 196.410 | ml/mol | McGowan Calculated Property |
| Pc | 2181.56 | kPa | Joback Calculated Property |
| Inp | [1997.00; 1997.00] |
|
|
| Inp | 1997.00 | NIST | |
| Inp | 1997.00 | NIST | |
| Tboil | 767.91 | K | Joback Calculated Property |
| Tc | 1003.26 | K | Joback Calculated Property |
| Tfus | 445.80 | K | Joback Calculated Property |
| Vc | 0.758 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [566.74; 639.67] | J/mol×K | [767.91; 1003.26] |
|
| Cp,gas | 566.74 | J/mol×K | 767.91 | Joback Calculated Property |
| Cp,gas | 581.74 | J/mol×K | 807.14 | Joback Calculated Property |
| Cp,gas | 595.53 | J/mol×K | 846.36 | Joback Calculated Property |
| Cp,gas | 608.17 | J/mol×K | 885.59 | Joback Calculated Property |
| Cp,gas | 619.71 | J/mol×K | 924.81 | Joback Calculated Property |
| Cp,gas | 630.19 | J/mol×K | 964.04 | Joback Calculated Property |
| Cp,gas | 639.67 | J/mol×K | 1003.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 4-cyanophenyl ester.
Sources
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