- InChI
- InChI=1S/C21H45N/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-21H2,1-3H3
- InChI Key
- CLZGJKHEVKJLLS-UHFFFAOYSA-N
- Formula
- C21H45N
- SMILES
- CCCCCCCN(CCCCCCC)CCCCCCC
- Molecular Weight1
- 311.59
- CAS
- 2411-36-1
- Other Names
-
- Triheptylamine
- tri-n-Heptylamine
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.8885 | Relay (1.0) Calculated Property | |
| ΔfG° | 236.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.200 | Crippen Calculated Property | |
| McVol | 316.730 | ml/mol | McGowan Calculated Property |
| Pc | 954.96 | kPa | Joback Calculated Property |
| Inp | [2012.00; 2012.00] |
|
|
| Inp | 2012.00 | NIST | |
| Inp | 2012.00 | NIST | |
| Tboil | 603.15 ± 4.00 | K | NIST |
| Tc | 755.29 | K | Relay (1.0) Calculated Property |
| Tfus | 246.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.233 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [466.48; 1140.77] | 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 | -2.68920e+01 | |||
| Coefficient B | 2.12276e+00 | |||
| Coefficient C | -1.23120e-03 | |||
| Coefficient D | 2.76100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 466.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 582.22 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 685.72 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 777.86 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 859.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 931.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 994.76 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1050.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1098.52 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1140.77 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [464.52; 636.04] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.57300e+01 | |||
| Coefficient B | -5.49279e+03 | |||
| Coefficient C | -1.08826e+02 | |||
| Temperature range, min. | 464.52 | |||
| Temperature range, max. | 636.04 | |||
| Pvap | 1.33 | kPa | 464.52 | Calculated Property |
| Pvap | 2.92 | kPa | 483.58 | Calculated Property |
| Pvap | 5.94 | kPa | 502.64 | Calculated Property |
| Pvap | 11.31 | kPa | 521.69 | Calculated Property |
| Pvap | 20.35 | kPa | 540.75 | Calculated Property |
| Pvap | 34.83 | kPa | 559.81 | Calculated Property |
| Pvap | 57.07 | kPa | 578.87 | Calculated Property |
| Pvap | 89.98 | kPa | 597.92 | Calculated Property |
| Pvap | 137.11 | kPa | 616.98 | Calculated Property |
| Pvap | 202.66 | kPa | 636.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Heptanamine, N,N-diheptyl-.
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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