- InChI
- InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-11-14-19-16(18)17-15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3,(H,17,18)
- InChI Key
- MEYIPBJUVYBHPS-UHFFFAOYSA-N
- Formula
- C16H25NO2
- SMILES
- CCCCCCCCCOC(=O)Nc1ccccc1
- Molecular Weight1
- 263.38
- CAS
- 33689-71-3
- Other Names
-
- Nonyl N-phenylcarbamate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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 | 0.8634 | Relay (1.0) Calculated Property | |
| ΔfG° | 51.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.986 | Crippen Calculated Property | |
| McVol | 229.960 | ml/mol | McGowan Calculated Property |
| Pc | 1789.39 | kPa | Joback Calculated Property |
| Tboil | 605.79 | K | Relay (1.0) Calculated Property |
| Tc | 843.41 | K | Relay (1.0) Calculated Property |
| Tfus | 327.00 ± 1.00 | K | NIST |
| Vc | 0.857 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.40; 743.44] | J/mol×K | [718.62; 915.13] | 
|
| Cp,gas | 658.40 | J/mol×K | 718.62 | Joback Calculated Property |
| Cp,gas | 674.91 | J/mol×K | 751.37 | Joback Calculated Property |
| Cp,gas | 690.44 | J/mol×K | 784.12 | Joback Calculated Property |
| Cp,gas | 705.03 | J/mol×K | 816.88 | Joback Calculated Property |
| Cp,gas | 718.71 | J/mol×K | 849.63 | Joback Calculated Property |
| Cp,gas | 731.50 | J/mol×K | 882.38 | Joback Calculated Property |
| Cp,gas | 743.44 | J/mol×K | 915.13 | Joback Calculated Property |
| Cp,solid | 471.10 | J/mol×K | 298.15 | NIST |
| ΔfusH | [28.05; 28.07] | kJ/mol | [327.00; 327.00] |
|
| ΔfusH | 28.05 | kJ/mol | 327.00 | NIST |
| ΔfusH | 28.07 | kJ/mol | 327.00 | NIST |
| ΔfusS | 85.80 | J/mol×K | 327.00 | NIST |
Similar Compounds
Find more compounds similar to Carbanilic acid, n-nonyl ester.
Sources
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