- InChI
- InChI=1S/C16H25NO3/c1-3-4-5-6-7-8-13-20-16(18)17-14-9-11-15(19-2)12-10-14/h9-12H,3-8,13H2,1-2H3,(H,17,18)
- InChI Key
- BTUZIUSTDKPFOM-UHFFFAOYSA-N
- Formula
- C16H25NO3
- SMILES
- CCCCCCCCOC(=O)Nc1ccc(OC)cc1
- Molecular Weight1
- 279.37
- CAS
- 93146-34-0
- 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 | 0.9169 | Relay (1.0) Calculated Property | |
| ΔfG° | -62.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -576.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.604 | Crippen Calculated Property | |
| McVol | 235.830 | ml/mol | McGowan Calculated Property |
| Pc | 1741.91 | kPa | Joback Calculated Property |
| Tboil | 627.16 | K | Relay (1.0) Calculated Property |
| Tc | 851.74 | K | Relay (1.0) Calculated Property |
| Tfus | 349.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.876 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [686.55; 768.46] | J/mol×K | [746.02; 942.70] | 
|
| Cp,gas | 686.55 | J/mol×K | 746.02 | Joback Calculated Property |
| Cp,gas | 702.58 | J/mol×K | 778.80 | Joback Calculated Property |
| Cp,gas | 717.64 | J/mol×K | 811.58 | Joback Calculated Property |
| Cp,gas | 731.74 | J/mol×K | 844.36 | Joback Calculated Property |
| Cp,gas | 744.90 | J/mol×K | 877.14 | Joback Calculated Property |
| Cp,gas | 757.13 | J/mol×K | 909.92 | Joback Calculated Property |
| Cp,gas | 768.46 | J/mol×K | 942.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-methoxy carbanilic acid, n-octyl ester.
Sources
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