- InChI
- InChI=1S/C26H55N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h27H,3-26H2,1-2H3
- InChI Key
- PZFYOFFTIYJCEW-UHFFFAOYSA-N
- Formula
- C26H55N
- SMILES
- CCCCCCCCCCCCCNCCCCCCCCCCCCC
- Molecular Weight1
- 381.72
- CAS
- 5910-75-8
- Other Names
-
- Bis(tridecyl)amine
- Di-n-tridecylamine
- Ditridecylamine
- N-tridecyltridecan-1-amine
- 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).
- 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 | 1.1293 | Relay (1.0) Calculated Property | |
| ΔfG° | 257.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 68.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.198 | Crippen Calculated Property | |
| McVol | 387.180 | ml/mol | McGowan Calculated Property |
| Pc | 730.07 | kPa | Joback Calculated Property |
| Tboil | 644.68 | K | Relay (1.0) Calculated Property |
| Tc | 806.27 | K | Relay (1.0) Calculated Property |
| Tfus | [326.65; 329.65] | K |
|
| Tfus | 326.65 ± 2.00 | K | NIST |
| Tfus | 329.65 ± 1.00 | K | NIST |
| Vc | 1.536 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.22; 1397.58] | 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 | -2.19560e+01 | |||
| Coefficient B | 2.55004e+00 | |||
| Coefficient C | -1.43920e-03 | |||
| Coefficient D | 3.08700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 573.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 713.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 839.73 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 952.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1052.12 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1140.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1218.21 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1286.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1345.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1397.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [538.12; 715.38] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.67534e+01 | |||
| Coefficient B | -6.64753e+03 | |||
| Coefficient C | -1.34402e+02 | |||
| Temperature range, min. | 538.12 | |||
| Temperature range, max. | 715.38 | |||
| Pvap | 1.33 | kPa | 538.12 | Calculated Property |
| Pvap | 2.87 | kPa | 557.82 | Calculated Property |
| Pvap | 5.76 | kPa | 577.51 | Calculated Property |
| Pvap | 10.91 | kPa | 597.21 | Calculated Property |
| Pvap | 19.61 | kPa | 616.90 | Calculated Property |
| Pvap | 33.66 | kPa | 636.60 | Calculated Property |
| Pvap | 55.48 | kPa | 656.29 | Calculated Property |
| Pvap | 88.16 | kPa | 675.99 | Calculated Property |
| Pvap | 135.63 | kPa | 695.68 | Calculated Property |
| Pvap | 202.63 | kPa | 715.38 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Tridecanamine, N-tridecyl-.
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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