- InChI
- InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-4-2/h3-18H2,1-2H3
- InChI Key
- KNXMUFRWYNVISA-UHFFFAOYSA-N
- Formula
- C19H38O2
- SMILES
- CCCCCCCCCCCCCCCCC(=O)OCC
- Molecular Weight1
- 298.50
- CAS
- 14010-23-2
- Other Names
-
- Ethyl heptadecanoate
- Ethyl n-heptadecanoate
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.9271 | Relay (1.0) Calculated Property | |
| ΔfG° | -124.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -760.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.421 | Crippen Calculated Property | |
| McVol | 286.010 | ml/mol | McGowan Calculated Property |
| Pc | 1114.08 | kPa | Joback Calculated Property |
| Inp | [2074.00; 2098.00] |
|
|
| Inp | 2074.00 | NIST | |
| Inp | 2078.00 | NIST | |
| Inp | 2082.00 | NIST | |
| Inp | 2077.00 | NIST | |
| Inp | 2098.00 | NIST | |
| Inp | 2089.00 | NIST | |
| Inp | 2075.00 | NIST | |
| I | [2330.00; 2383.00] |
|
|
| I | 2342.00 | NIST | |
| I | 2348.00 | NIST | |
| I | 2343.00 | NIST | |
| I | 2359.00 | NIST | |
| I | 2357.00 | NIST | |
| I | 2370.00 | NIST | |
| I | 2349.00 | NIST | |
| I | 2330.00 | NIST | |
| I | 2355.00 | NIST | |
| I | 2349.00 | NIST | |
| I | 2340.00 | NIST | |
| I | Outlier 2383.00 | NIST | |
| I | 2365.00 | NIST | |
| Tboil | 584.35 | K | Relay (1.0) Calculated Property |
| Tc | 764.52 | K | Relay (1.0) Calculated Property |
| Tfus | 303.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.128 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [848.69; 951.34] | J/mol×K | [710.41; 879.90] |
|
| Cp,gas | 848.69 | J/mol×K | 710.41 | Joback Calculated Property |
| Cp,gas | 867.91 | J/mol×K | 738.66 | Joback Calculated Property |
| Cp,gas | 886.25 | J/mol×K | 766.91 | Joback Calculated Property |
| Cp,gas | 903.75 | J/mol×K | 795.15 | Joback Calculated Property |
| Cp,gas | 920.41 | J/mol×K | 823.40 | Joback Calculated Property |
| Cp,gas | 936.27 | J/mol×K | 851.65 | Joback Calculated Property |
| Cp,gas | 951.34 | J/mol×K | 879.90 | Joback Calculated Property |
| η | [0.0000838; 0.0018384] | Pa×s | [376.05; 710.41] |
|
| η | 0.0018384 | Pa×s | 376.05 | Joback Calculated Property |
| η | 0.0007881 | Pa×s | 431.78 | Joback Calculated Property |
| η | 0.0004101 | Pa×s | 487.50 | Joback Calculated Property |
| η | 0.0002440 | Pa×s | 543.23 | Joback Calculated Property |
| η | 0.0001599 | Pa×s | 598.96 | Joback Calculated Property |
| η | 0.0001126 | Pa×s | 654.68 | Joback Calculated Property |
| η | 0.0000838 | Pa×s | 710.41 | Joback Calculated Property |
| ΔfusH | 36.20 | kJ/mol | 298.40 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 458.20 | K | 0.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [502.12; 637.14] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.94072e+01 | |||
| Coefficient B | -7.24324e+03 | |||
| Coefficient C | -1.23282e+02 | |||
| Temperature range, min. | 502.12 | |||
| Temperature range, max. | 637.14 | |||
| Pvap | 1.33 | kPa | 502.12 | Calculated Property |
| Pvap | 2.76 | kPa | 517.12 | Calculated Property |
| Pvap | 5.42 | kPa | 532.12 | Calculated Property |
| Pvap | 10.15 | kPa | 547.13 | Calculated Property |
| Pvap | 18.21 | kPa | 562.13 | Calculated Property |
| Pvap | 31.43 | kPa | 577.13 | Calculated Property |
| Pvap | 52.37 | kPa | 592.13 | Calculated Property |
| Pvap | 84.55 | kPa | 607.14 | Calculated Property |
| Pvap | 132.62 | kPa | 622.14 | Calculated Property |
| Pvap | 202.64 | kPa | 637.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecanoic acid, ethyl ester.
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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that the value is more than 2 standard deviations away from the
property mean.