- InChI
- InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
- InChI Key
- XUGNVMKQXJXZCD-UHFFFAOYSA-N
- Formula
- C19H38O2
- SMILES
- CCCCCCCCCCCCCCCC(=O)OC(C)C
- Molecular Weight1
- 298.50
- CAS
- 142-91-6
- Other Names
-
- 1-methylethyl hexadecanoate
- 1-methylethyl hexandecanoate
- 2-propyl hexadecanoate
- Crodamol IPP
- Deltyl
- Deltyl Prime
- Emcol-IP
- Emerest 2316
- Estol 103
- Hexadecanoic acid, 1-methylethyl ester
- Hexadecanoic acid, isopropyl ester
- Isopal
- Isopalm
- Isopropyl ester of hexadecanoic acid
- Isopropyl hexadecanoate
- Isopropyl n-hexadecanoate
- Ja-fa ipp
- Ja-fa ippkessco
- Kessco IPP
- Kessco isopropyl palmitate
- Lexol IPP
- Liponate IPP
- NSC 69169
- Nikkol IPP
- Palmitic acid, isopropyl ester
- Plymouth IPP
- Propal
- Radia 7200
- Sinnoester PIT
- Starfol IPP
- Stepan D-70
- Tegester isopalm
- Tegosoft P
- USAF KE-5
- Unimate IPP
- Wickenol 111
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | -127.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.66 | kJ/mol | Joback Calculated Property |
| log10WS | -6.75 | Crippen Calculated Property | |
| logPoct/wat | 6.419 | Crippen Calculated Property | |
| McVol | 286.010 | ml/mol | McGowan Calculated Property |
| Pc | 1120.05 | kPa | Joback Calculated Property |
| Inp | [1981.00; 2027.00] |
|
|
| Inp | Outlier 1981.00 | NIST | |
| Inp | 1999.00 | NIST | |
| Inp | 2011.00 | NIST | |
| Inp | 2012.00 | NIST | |
| Inp | 2017.00 | NIST | |
| Inp | 2023.50 | NIST | |
| Inp | 2023.00 | NIST | |
| Inp | 2024.00 | NIST | |
| Inp | 2027.00 | NIST | |
| Inp | 2026.90 | NIST | |
| Inp | Outlier 1981.00 | NIST | |
| Inp | 2023.00 | NIST | |
| Inp | 2025.00 | NIST | |
| Inp | 2024.00 | NIST | |
| Inp | 2024.00 | NIST | |
| Inp | 2026.00 | NIST | |
| Inp | 2017.00 | NIST | |
| Inp | 2013.00 | NIST | |
| I | [2232.00; 2251.00] |
|
|
| I | 2232.00 | NIST | |
| I | 2232.00 | NIST | |
| I | 2237.00 | NIST | |
| I | 2251.00 | NIST | |
| I | 2251.00 | NIST | |
| I | 2237.00 | NIST | |
| I | 2232.00 | NIST | |
| Tboil | 709.97 | K | Joback Calculated Property |
| Tc | 880.96 | K | Joback Calculated Property |
| Tfus | 361.05 | K | Joback Calculated Property |
| Vc | 1.117 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [849.12; 952.60] | J/mol×K | [709.97; 880.96] |
|
| Cp,gas | 849.12 | J/mol×K | 709.97 | Joback Calculated Property |
| Cp,gas | 868.53 | J/mol×K | 738.47 | Joback Calculated Property |
| Cp,gas | 887.04 | J/mol×K | 766.97 | Joback Calculated Property |
| Cp,gas | 904.69 | J/mol×K | 795.46 | Joback Calculated Property |
| Cp,gas | 921.48 | J/mol×K | 823.96 | Joback Calculated Property |
| Cp,gas | 937.44 | J/mol×K | 852.46 | Joback Calculated Property |
| Cp,gas | 952.60 | J/mol×K | 880.96 | Joback Calculated Property |
| η | [0.0000774; 0.0023450] | Pa×s | [361.05; 709.97] |
|
| η | 0.0023450 | Pa×s | 361.05 | Joback Calculated Property |
| η | 0.0008954 | Pa×s | 419.20 | Joback Calculated Property |
| η | 0.0004323 | Pa×s | 477.36 | Joback Calculated Property |
| η | 0.0002445 | Pa×s | 535.51 | Joback Calculated Property |
| η | 0.0001546 | Pa×s | 593.66 | Joback Calculated Property |
| η | 0.0001061 | Pa×s | 651.82 | Joback Calculated Property |
| η | 0.0000774 | Pa×s | 709.97 | Joback Calculated Property |
| ΔvapH | 73.60 | kJ/mol | 452.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [501.32; 638.39] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.91779e+01 | |||
| Coefficient B | -7.14651e+03 | |||
| Coefficient C | -1.23004e+02 | |||
| Temperature range, min. | 501.32 | |||
| Temperature range, max. | 638.39 | |||
| Pvap | 1.33 | kPa | 501.32 | Calculated Property |
| Pvap | 2.77 | kPa | 516.55 | Calculated Property |
| Pvap | 5.45 | kPa | 531.78 | Calculated Property |
| Pvap | 10.21 | kPa | 547.01 | Calculated Property |
| Pvap | 18.31 | kPa | 562.24 | Calculated Property |
| Pvap | 31.59 | kPa | 577.47 | Calculated Property |
| Pvap | 52.60 | kPa | 592.70 | Calculated Property |
| Pvap | 84.82 | kPa | 607.93 | Calculated Property |
| Pvap | 132.87 | kPa | 623.16 | Calculated Property |
| Pvap | 202.67 | kPa | 638.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl palmitate.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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that the value is more than 2 standard deviations away from the
property mean.