- InChI
- InChI=1S/C13H21NO/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10H,2-6,11,14H2,1H3
- InChI Key
- LTGYTOOKQWFTQG-UHFFFAOYSA-N
- Formula
- C13H21NO
- SMILES
- CCCCCCCOc1ccc(N)cc1
- Molecular Weight1
- 207.31
- CAS
- 39905-44-7
- Other Names
-
- 4-n-Heptyloxyaniline
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.7513 | Relay (... Calculated Property | |
| ΔfG° | 122.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.49 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.83 | kJ/mol | Relay (... Calculated Property |
| IE | 7.40 | eV | Relay (... Calculated Property |
| log10WS | -4.14 | Relay (... Calculated Property | |
| logPoct/wat | 3.618 | Crippen Calculated Property | |
| McVol | 186.120 | ml/mol | McGowan Calculated Property |
| Pc | 2246.13 | kPa | Joback Calculated Property |
| Tboil | 596.88 | K | Relay (... Calculated Property |
| Tc | 783.45 | K | Relay (... Calculated Property |
| Tfus | 314.53 | K | Relay (... Calculated Property |
| Vc | 0.690 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.58; 572.82] | J/mol×K | [623.45; 827.90] | 
|
| Cp,gas | 487.58 | J/mol×K | 623.45 | Joback Calculated Property |
| Cp,gas | 503.93 | J/mol×K | 657.52 | Joback Calculated Property |
| Cp,gas | 519.39 | J/mol×K | 691.60 | Joback Calculated Property |
| Cp,gas | 533.98 | J/mol×K | 725.67 | Joback Calculated Property |
| Cp,gas | 547.73 | J/mol×K | 759.75 | Joback Calculated Property |
| Cp,gas | 560.67 | J/mol×K | 793.82 | Joback Calculated Property |
| Cp,gas | 572.82 | J/mol×K | 827.90 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 419.00 ± 1.00 | K | 0.07 | NIST |
Similar Compounds
Find more compounds similar to p-Heptyloxyaniline.
Sources
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