- InChI
- InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h3-17H2,1-2H3
- InChI Key
- LSTDYDRCKUBPDI-UHFFFAOYSA-N
- Formula
- C18H36O2
- SMILES
- CCCCCCCCCCCCCCCCOC(C)=O
- Molecular Weight1
- 284.48
- CAS
- 629-70-9
- Other Names
-
- 1-Acetoxyhexadecane
- 1-Hexadecanol, 1-acetate
- Acelan A
- Acetic acid, hexadecyl ester
- Acrylated lanolin alcohol
- Cetyl acetate
- ENT 1025
- Hexadecanyl acetate
- Hexadecyl acetate
- NSC 8492
- Palmityl acetate
- n-Hexadecyl acetate
- n-Hexadecyl ethanoate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- Ip : 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 | 0.8952 | Relay (1.0) Calculated Property | |
| ΔfG° | -209.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.30 | kJ/mol | NIST |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.031 | Crippen Calculated Property | |
| McVol | 271.920 | ml/mol | McGowan Calculated Property |
| Pc | 1156.14 | kPa | Joback Calculated Property |
| Inp | [1976.00; 2013.00] |
|
|
| Inp | 1996.00 | NIST | |
| Inp | 1994.00 | NIST | |
| Inp | Outlier 1976.00 | NIST | |
| Inp | 1991.10 | NIST | |
| Inp | Outlier 1984.00 | NIST | |
| Inp | 2009.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2009.00 | NIST | |
| Inp | 2009.00 | NIST | |
| Inp | 2013.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Inp | 2006.90 | NIST | |
| Inp | 2009.00 | NIST | |
| Inp | 1995.00 | NIST | |
| Inp | 1997.00 | NIST | |
| Inp | 2006.00 | NIST | |
| Inp | 2011.00 | NIST | |
| Inp | 2004.00 | NIST | |
| Inp | 2005.00 | NIST | |
| Inp | 1990.00 | NIST | |
| Inp | 2003.00 | NIST | |
| Inp | 2009.00 | NIST | |
| Inp | 2009.00 | NIST | |
| Inp | 2009.00 | NIST | |
| Inp | 2010.00 | NIST | |
| Inp | 2013.00 | NIST | |
| Inp | 2008.00 | NIST | |
| Inp | 2003.00 | NIST | |
| Inp | 2013.00 | NIST | |
| Inp | 2009.00 | NIST | |
| Inp | 1996.00 | NIST | |
| Ip | [2294.00; 2312.00] |
|
|
| Ip | 2309.00 | NIST | |
| Ip | 2312.00 | NIST | |
| Ip | 2312.00 | NIST | |
| Ip | 2294.00 | NIST | |
| Ip | 2309.00 | NIST | |
| Tboil | 580.25 | K | Relay (1.0) Calculated Property |
| Tc | 758.45 | K | Relay (1.0) Calculated Property |
| Tfus | [254.65; 295.40] | K |
|
| Tfus | 254.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 292.35 ± 2.00 | K | NIST |
| Tfus | 295.40 ± 1.50 | K | NIST |
| Tfus | 291.70 ± 4.00 | K | NIST |
| Vc | 1.075 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 70.30 | kJ/mol | 450.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [403.67; 956.08] | 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 | 1.19350e+01 | |||
| Coefficient B | 1.65904e+00 | |||
| Coefficient C | -8.60800e-04 | |||
| Coefficient D | 1.45900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 403.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 497.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 582.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 658.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 725.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 785.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 838.24 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 883.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 922.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 956.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0111875; 0.0001443] | Pa×s | [283.52; 584.67] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.29403e+01 | |||
| Coefficient B | 2.39504e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 283.52 | |||
| Temperature range, max. | 584.67 | |||
| η | 0.0111875 | Pa×s | 283.52 | Calculated Property |
| η | 0.0045864 | Pa×s | 316.99 | Calculated Property |
| η | 0.0022293 | Pa×s | 350.45 | Calculated Property |
| η | 0.0012288 | Pa×s | 383.91 | Calculated Property |
| η | 0.0007452 | Pa×s | 417.37 | Calculated Property |
| η | 0.0004867 | Pa×s | 450.83 | Calculated Property |
| η | 0.0003372 | Pa×s | 484.29 | Calculated Property |
| η | 0.0002449 | Pa×s | 517.75 | Calculated Property |
| η | 0.0001850 | Pa×s | 551.21 | Calculated Property |
| η | 0.0001443 | Pa×s | 584.67 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [507.32; 619.31] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.24900e+01 | |||
| Coefficient B | -8.50187e+03 | |||
| Coefficient C | -1.24394e+02 | |||
| Temperature range, min. | 507.32 | |||
| Temperature range, max. | 619.31 | |||
| Pvap | 1.33 | kPa | 507.32 | Calculated Property |
| Pvap | 2.68 | kPa | 519.76 | Calculated Property |
| Pvap | 5.17 | kPa | 532.21 | Calculated Property |
| Pvap | 9.58 | kPa | 544.65 | Calculated Property |
| Pvap | 17.14 | kPa | 557.09 | Calculated Property |
| Pvap | 29.69 | kPa | 569.54 | Calculated Property |
| Pvap | 49.91 | kPa | 581.98 | Calculated Property |
| Pvap | 81.61 | kPa | 594.42 | Calculated Property |
| Pvap | 130.13 | kPa | 606.87 | Calculated Property |
| Pvap | 202.66 | kPa | 619.31 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Hexadecanol, acetate.
Sources
- 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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