- InChI
- InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12H,2-8,13,17H2,1H3
- InChI Key
- KKGIDNSPWHBLLE-UHFFFAOYSA-N
- Formula
- C16H25NO2
- SMILES
- CCCCCCCCCOC(=O)c1ccc(N)cc1
- Molecular Weight1
- 263.38
- CAS
- 37139-21-2
- 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).
- 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 | 0.8981 | Relay (... Calculated Property | |
| ΔfG° | 19.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.39 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 38.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.53 | kJ/mol | Relay (... Calculated Property |
| IE | 8.01 | eV | Relay (... Calculated Property |
| log10WS | -5.13 | Relay (... Calculated Property | |
| logPoct/wat | 4.176 | Crippen Calculated Property | |
| McVol | 229.960 | ml/mol | McGowan Calculated Property |
| Pc | 1834.11 | kPa | Joback Calculated Property |
| Tboil | 636.44 | K | Relay (... Calculated Property |
| Tc | 828.84 | K | Relay (... Calculated Property |
| Tfus | 341.00 ± 1.00 | K | NIST |
| Vc | 0.855 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [669.27; 751.29] | J/mol×K | [745.96; 949.56] | 
|
| Cp,gas | 669.27 | J/mol×K | 745.96 | Joback Calculated Property |
| Cp,gas | 685.30 | J/mol×K | 779.89 | Joback Calculated Property |
| Cp,gas | 700.35 | J/mol×K | 813.83 | Joback Calculated Property |
| Cp,gas | 714.44 | J/mol×K | 847.76 | Joback Calculated Property |
| Cp,gas | 727.61 | J/mol×K | 881.69 | Joback Calculated Property |
| Cp,gas | 739.88 | J/mol×K | 915.63 | Joback Calculated Property |
| Cp,gas | 751.29 | J/mol×K | 949.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to nonyl 4-aminobenzoate.
Sources
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