- 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
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6974 | Relay (1.0) Calculated Property | |
| ΔfG° | 227.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -70.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.49 | Relay (1.0) 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 | 579.43 | K | Relay (1.0) Calculated Property |
| Tc | 779.63 | K | Relay (1.0) Calculated Property |
| Tfus | 279.63 | K | Relay (1.0) Calculated Property |
| Vc | 0.672 | m3/kmol | Relay (1.0) 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 |
|---|---|---|---|---|
| Cp,gas | [246.93; 604.42] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.20440e+01 | |||
| Coefficient B | 1.16232e+00 | |||
| Coefficient C | -6.90960e-04 | |||
| Coefficient D | 1.55100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 246.93 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 309.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 365.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 414.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 458.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 496.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 529.42 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 558.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 583.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 604.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [415.00; 581.10] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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