- InChI
- InChI=1S/C13H21N/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7,14H2,1H3
- InChI Key
- BNEWZYZRLNNWNR-UHFFFAOYSA-N
- Formula
- C13H21N
- SMILES
- CCCCCCCc1ccc(N)cc1
- Molecular Weight1
- 191.31
- CAS
- 37529-27-4
- Other Names
-
- 4-Heptylaniline
- 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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | 227.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -52.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.11 | kJ/mol | Joback Calculated Property |
| log10WS | -4.00 | Crippen Calculated Property | |
| logPoct/wat | 3.782 | Crippen Calculated Property | |
| McVol | 180.250 | ml/mol | McGowan Calculated Property |
| Pc | 2282.77 | kPa | Joback Calculated Property |
| Tboil | 601.03 | K | Joback Calculated Property |
| Tc | 807.53 | K | Joback Calculated Property |
| Tfus | 358.47 | K | Joback Calculated Property |
| Vc | 0.684 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [460.62; 547.66] | J/mol×K | [601.03; 807.53] | 
|
| Cp,gas | 460.62 | J/mol×K | 601.03 | Joback Calculated Property |
| Cp,gas | 477.34 | J/mol×K | 635.45 | Joback Calculated Property |
| Cp,gas | 493.13 | J/mol×K | 669.86 | Joback Calculated Property |
| Cp,gas | 508.01 | J/mol×K | 704.28 | Joback Calculated Property |
| Cp,gas | 522.04 | J/mol×K | 738.70 | Joback Calculated Property |
| Cp,gas | 535.24 | J/mol×K | 773.11 | Joback Calculated Property |
| Cp,gas | 547.66 | J/mol×K | 807.53 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 418.50 ± 0.50 | K | 0.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [415.00; 581.10] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50187e+01 | |||
| Coefficient B | -4.72795e+03 | |||
| Coefficient C | -9.40500e+01 | |||
| Temperature range, min. | 415.00 | |||
| Temperature range, max. | 581.10 | |||
| Pvap | 1.33 | kPa | 415.00 | Calculated Property |
| Pvap | 2.97 | kPa | 433.46 | Calculated Property |
| Pvap | 6.09 | kPa | 451.91 | Calculated Property |
| Pvap | 11.65 | kPa | 470.37 | Calculated Property |
| Pvap | 20.95 | kPa | 488.82 | Calculated Property |
| Pvap | 35.77 | kPa | 507.28 | Calculated Property |
| Pvap | 58.34 | kPa | 525.73 | Calculated Property |
| Pvap | 91.41 | kPa | 544.19 | Calculated Property |
| Pvap | 138.25 | kPa | 562.64 | Calculated Property |
| Pvap | 202.63 | kPa | 581.10 | Calculated Property |
Similar Compounds
Find more compounds similar to p-Heptylaniline.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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