- 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
- 298.51
- 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.
- Ip : 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° | -201.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -760.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.52 | 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 | 1084.20 | kPa | Joback Calculated Property |
| Inp | [2074.00; 2098.00] |
|
|
| Inp | 2074.00 | NIST | |
| 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 | |
| Inp | 2098.00 | NIST | |
| Ip | [2330.00; 2383.00] |
|
|
| Ip | 2342.00 | NIST | |
| Ip | 2348.00 | NIST | |
| Ip | 2343.00 | NIST | |
| Ip | 2359.00 | NIST | |
| Ip | 2357.00 | NIST | |
| Ip | 2370.00 | NIST | |
| Ip | 2349.00 | NIST | |
| Ip | 2330.00 | NIST | |
| Ip | 2355.00 | NIST | |
| Ip | 2349.00 | NIST | |
| Ip | 2340.00 | NIST | |
| Ip | 2383.00 | NIST | |
| Ip | 2365.00 | NIST | |
| Ip | 2342.00 | NIST | |
| Ip | 2370.00 | NIST | |
| Ip | 2383.00 | NIST | |
| Tboil | 584.35 | K | Relay (1.0) Calculated Property |
| Tc | 767.68 | K | Relay (1.0) Calculated Property |
| Tfus | 301.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.131 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Cp,gas | [424.88; 1007.67] | 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 | 1.10260e+01 | |||
| Coefficient B | 1.75404e+00 | |||
| Coefficient C | -9.15200e-04 | |||
| Coefficient D | 1.57800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 424.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 524.01 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 613.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 693.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 764.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 827.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 883.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 931.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 972.63 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1007.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0080222; 0.0001294] | Pa×s | [301.15; 601.44] |
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 | -1.30912e+01 | |||
| Coefficient B | 2.48920e+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. | 301.15 | |||
| Temperature range, max. | 601.44 | |||
| η | 0.0080222 | Pa×s | 301.15 | Calculated Property |
| η | 0.0035176 | Pa×s | 334.52 | Calculated Property |
| η | 0.0017912 | Pa×s | 367.88 | Calculated Property |
| η | 0.0010204 | Pa×s | 401.25 | Calculated Property |
| η | 0.0006338 | Pa×s | 434.61 | Calculated Property |
| η | 0.0004213 | Pa×s | 467.98 | Calculated Property |
| η | 0.0002957 | Pa×s | 501.34 | Calculated Property |
| η | 0.0002169 | Pa×s | 534.71 | Calculated Property |
| η | 0.0001650 | Pa×s | 568.07 | Calculated Property |
| η | 0.0001294 | Pa×s | 601.44 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [502.12; 637.14] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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
- 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
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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