- InChI
- InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3
- InChI Key
- FJLUATLTXUNBOT-UHFFFAOYSA-N
- Formula
- C16H35N
- SMILES
- CCCCCCCCCCCCCCCCN
- Molecular Weight1
- 241.46
- CAS
- 143-27-1
- Other Names
-
- 1-Aminohexadecane
- 1-Hexadecanamine
- 1-Hexadecylamine
- Alamine 6
- Amine 16D
- Armeen 16D
- Cetylamin
- Cetylamine
- Hexyldecylamine
- Monohexadecylamine
- NSC 8489
- Nissan Amine PB
- Palmitamine
- Palmityl amine
- n-Cetylamine
- n-Hexadecylamine
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.8318 | Relay (1.0) Calculated Property | |
| ΔfG° | 150.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -372.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.426 | Crippen Calculated Property | |
| McVol | 246.280 | ml/mol | McGowan Calculated Property |
| Pc | 1374.80 | kPa | Joback Calculated Property |
| Inp | [1843.00; 1843.00] |
|
|
| Inp | 1843.00 | NIST | |
| Inp | 1843.00 | NIST | |
| Tboil | [592.15; 603.20] | K |
|
| Tboil | 592.15 | K | KDB |
| Tboil | 603.20 | K | NIST |
| Tboil | 595.70 | K | NIST |
| Tboil | 603.00 ± 5.00 | K | NIST |
| Tc | 748.17 | K | Relay (1.0) Calculated Property |
| Tfus | [316.00; 320.20] | K |
|
| Tfus | 319.95 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 318.15 | K | KDB |
| Tfus | 320.20 ± 2.00 | K | NIST |
| Tfus | Outlier 316.00 ± 3.00 | K | NIST |
| Tfus | 318.00 ± 0.70 | K | NIST |
| Tfus | 319.40 ± 2.00 | K | NIST |
| Tfus | 319.95 ± 1.00 | K | NIST |
| Tfus | 318.75 ± 0.70 | K | NIST |
| Tfus | 319.92 ± 0.50 | K | NIST |
| Tfus | 320.15 ± 2.00 | K | NIST |
| Tfus | 318.15 ± 2.00 | K | NIST |
| Tfus | 319.00 ± 1.50 | K | NIST |
| Tfus | 319.15 ± 2.00 | K | NIST |
| Tfus | 319.00 ± 2.00 | K | NIST |
| Vc | 0.980 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 66.90 | kJ/mol | 553.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.28; 880.76] | 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 | -5.16500e+00 | |||
| Coefficient B | 1.58572e+00 | |||
| Coefficient C | -8.90000e-04 | |||
| Coefficient D | 1.90200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 365.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 452.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 531.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 601.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 664.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 719.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 768.10 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 810.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 848.17 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 880.76 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [462.92; 636.65] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55671e+01 | |||
| Coefficient B | -5.41889e+03 | |||
| Coefficient C | -1.08270e+02 | |||
| Temperature range, min. | 462.92 | |||
| Temperature range, max. | 636.65 | |||
| Pvap | 1.33 | kPa | 462.92 | Calculated Property |
| Pvap | 2.93 | kPa | 482.22 | Calculated Property |
| Pvap | 5.98 | kPa | 501.53 | Calculated Property |
| Pvap | 11.39 | kPa | 520.83 | Calculated Property |
| Pvap | 20.48 | kPa | 540.13 | Calculated Property |
| Pvap | 35.03 | kPa | 559.44 | Calculated Property |
| Pvap | 57.35 | kPa | 578.74 | Calculated Property |
| Pvap | 90.29 | kPa | 598.04 | Calculated Property |
| Pvap | 137.36 | kPa | 617.35 | Calculated Property |
| Pvap | 202.64 | kPa | 636.65 | Calculated Property |
| Pvap | [0.13; 99.63] | kPa | [404.15; 595.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.97379e+02 | |||
| Coefficient B | -1.84700e+04 | |||
| Coefficient C | -2.58979e+01 | |||
| Coefficient D | 1.04834e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 404.15 | |||
| Temperature range, max. | 595.15 | |||
| Pvap | 0.13 | kPa | 404.15 | Calculated Property |
| Pvap | 0.41 | kPa | 425.37 | Calculated Property |
| Pvap | 1.10 | kPa | 446.59 | Calculated Property |
| Pvap | 2.64 | kPa | 467.82 | Calculated Property |
| Pvap | 5.74 | kPa | 489.04 | Calculated Property |
| Pvap | 11.48 | kPa | 510.26 | Calculated Property |
| Pvap | 21.37 | kPa | 531.48 | Calculated Property |
| Pvap | 37.47 | kPa | 552.71 | Calculated Property |
| Pvap | 62.44 | kPa | 573.93 | Calculated Property |
| Pvap | 99.63 | kPa | 595.15 | Calculated Property |
| Pvap | [0.14; 100.86] | kPa | [396.80; 603.00] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.66188e+01 | |||
| Coefficient B | -6.96980e+03 | |||
| Coefficient C | -2.24270e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 396.80 | |||
| Temperature range, max. | 603.00 | |||
| Pvap | 0.14 | kPa | 396.80 | Calculated Property |
| Pvap | 0.40 | kPa | 419.71 | Calculated Property |
| Pvap | 1.03 | kPa | 442.62 | Calculated Property |
| Pvap | 2.43 | kPa | 465.53 | Calculated Property |
| Pvap | 5.27 | kPa | 488.44 | Calculated Property |
| Pvap | 10.63 | kPa | 511.36 | Calculated Property |
| Pvap | 20.12 | kPa | 534.27 | Calculated Property |
| Pvap | 36.05 | kPa | 557.18 | Calculated Property |
| Pvap | 61.59 | kPa | 580.09 | Calculated Property |
| Pvap | 100.86 | kPa | 603.00 | Calculated Property |
Similar Compounds
Find more compounds similar to HEXADECYLAMINE.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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