- InChI
- InChI=1S/C14H17NO4/c16-14(10-5-11-3-1-2-4-11)19-13-8-6-12(7-9-13)15(17)18/h6-9,11H,1-5,10H2
- InChI Key
- CFYBMLAAOGKARE-UHFFFAOYSA-N
- Formula
- C14H17NO4
- SMILES
-
O=C(CCC1CCCC1)Oc1ccc([N+](=O)[
O-])cc1 - Molecular Weight1
- 263.29
- 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 | 0.7446 | Relay (1.0) Calculated Property | |
| ΔfG° | 7.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -376.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.471 | Crippen Calculated Property | |
| McVol | 198.360 | ml/mol | McGowan Calculated Property |
| Pc | 2480.12 | kPa | Joback Calculated Property |
| Inp | [2132.00; 2132.00] |
|
|
| Inp | 2132.00 | NIST | |
| Inp | 2132.00 | NIST | |
| Tboil | 621.37 | K | Relay (1.0) Calculated Property |
| Tc | 882.68 | K | Relay (1.0) Calculated Property |
| Tfus | 343.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.696 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.22; 666.34] | J/mol×K | [794.79; 1042.07] |
|
| Cp,gas | 594.22 | J/mol×K | 794.79 | Joback Calculated Property |
| Cp,gas | 609.41 | J/mol×K | 836.00 | Joback Calculated Property |
| Cp,gas | 623.25 | J/mol×K | 877.22 | Joback Calculated Property |
| Cp,gas | 635.80 | J/mol×K | 918.43 | Joback Calculated Property |
| Cp,gas | 647.12 | J/mol×K | 959.64 | Joback Calculated Property |
| Cp,gas | 657.28 | J/mol×K | 1000.86 | Joback Calculated Property |
| Cp,gas | 666.34 | J/mol×K | 1042.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Cyclopentylpropionic acid, 4-nitrophenyl ester.
Sources
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