- InChI
- InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
- InChI Key
- BDXAHSJUDUZLDU-UHFFFAOYSA-N
- Formula
- C20H40O2
- SMILES
- CCCCCCCCCCCCCCCCCCC(=O)OC
- Molecular Weight1
- 312.53
- CAS
- 1731-94-8
- Other Names
-
- Methyl nonadecanoate
- methyl nonadecan-1-oate
- n-Nonadecanoic acid methyl ester
- 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).
- 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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- 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° | -116.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -700.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.92 | kJ/mol | Heat Ca... |
| ΔvapH° | [109.50; 109.50] | kJ/mol |
|
| ΔvapH° | 109.50 ± 5.40 | kJ/mol | NIST |
| ΔvapH° | 109.50 ± 2.70 | kJ/mol | NIST |
| log10WS | -7.06 | Crippen Calculated Property | |
| logPoct/wat | 6.811 | Crippen Calculated Property | |
| McVol | 300.100 | ml/mol | McGowan Calculated Property |
| Pc | 1045.97 | kPa | Joback Calculated Property |
| Inp | [365.43; 2230.00] |
|
|
| Inp | 2197.70 | NIST | |
| Inp | 2198.80 | NIST | |
| Inp | 2200.00 | NIST | |
| Inp | 2201.20 | NIST | |
| Inp | 2202.40 | NIST | |
| Inp | 2203.60 | NIST | |
| Inp | 2204.90 | NIST | |
| Inp | 2210.00 | NIST | |
| Inp | 2211.00 | NIST | |
| Inp | 2214.00 | NIST | |
| Inp | 2214.00 | NIST | |
| Inp | 2209.00 | NIST | |
| Inp | 2210.00 | NIST | |
| Inp | 2228.00 | NIST | |
| Inp | 2226.20 | NIST | |
| Inp | 2210.00 | NIST | |
| Inp | 2210.00 | NIST | |
| Inp | 2221.00 | NIST | |
| Inp | 2209.00 | NIST | |
| Inp | 2207.00 | NIST | |
| Inp | 2230.00 | NIST | |
| Inp | 2209.00 | NIST | |
| Inp | 2207.00 | NIST | |
| Inp | 2228.00 | NIST | |
| Inp | Outlier 376.60 | NIST | |
| Inp | Outlier 376.70 | NIST | |
| Inp | Outlier 365.54 | NIST | |
| Inp | Outlier 365.43 | NIST | |
| Inp | Outlier 365.43 | NIST | |
| I | [2513.00; 2543.00] |
|
|
| I | 2513.00 | NIST | |
| I | 2543.00 | NIST | |
| I | 2534.00 | NIST | |
| I | 2539.00 | NIST | |
| Tboil | 733.29 | K | Joback Calculated Property |
| Tc | 904.52 | K | Joback Calculated Property |
| Tfus | 312.35 ± 0.40 | K | NIST |
| Vc | 1.179 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [908.52; 1013.17] | J/mol×K | [733.29; 904.52] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 900 920 940 960 980 1000 1020 750 800 850 900 | ||||
| Cp,gas | 908.52 | J/mol×K | 733.29 | Joback Calculated Property |
| Cp,gas | 928.17 | J/mol×K | 761.83 | Joback Calculated Property |
| Cp,gas | 946.91 | J/mol×K | 790.37 | Joback Calculated Property |
| Cp,gas | 964.76 | J/mol×K | 818.91 | Joback Calculated Property |
| Cp,gas | 981.74 | J/mol×K | 847.45 | Joback Calculated Property |
| Cp,gas | 997.86 | J/mol×K | 875.99 | Joback Calculated Property |
| Cp,gas | 1013.17 | J/mol×K | 904.52 | Joback Calculated Property |
| η | [0.0000733; 0.0016619] | Pa×s | [387.32; 733.29] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 5.00e-4 1.00e-3 1.50e-3 400 500 600 700 | ||||
| η | 0.0016619 | Pa×s | 387.32 | Joback Calculated Property |
| η | 0.0007053 | Pa×s | 444.98 | Joback Calculated Property |
| η | 0.0003644 | Pa×s | 502.64 | Joback Calculated Property |
| η | 0.0002156 | Pa×s | 560.30 | Joback Calculated Property |
| η | 0.0001407 | Pa×s | 617.97 | Joback Calculated Property |
| η | 0.0000988 | Pa×s | 675.63 | Joback Calculated Property |
| η | 0.0000733 | Pa×s | 733.29 | Joback Calculated Property |
| ΔfusH | [19.40; 63.80] | kJ/mol | [304.20; 313.20] |
|
| ΔfusH | 19.40 | kJ/mol | 304.20 | NIST |
| ΔfusH | 63.80 | kJ/mol | 313.20 | NIST |
| ΔfusH | 42.80 | kJ/mol | 313.20 | NIST |
| ΔfusH | 42.80 | kJ/mol | 313.20 | NIST |
| ΔvapH | [90.10; 105.00] | kJ/mol | [326.00; 485.00] |
|
| ΔvapH | 105.00 ± 2.40 | kJ/mol | 326.00 | NIST |
| ΔvapH | 101.20 | kJ/mol | 350.00 | NIST |
| ΔvapH | 90.10 | kJ/mol | 485.00 | NIST |
| ΔfusS | [63.70; 136.80] | J/mol×K | [304.20; 313.20] |
|
| ΔfusS | 63.70 | J/mol×K | 304.20 | NIST |
| ΔfusS | 136.80 | J/mol×K | 313.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [517.80; 648.64] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.02510e+01 | |||
| Coefficient B | -7.76715e+03 | |||
| Coefficient C | -1.28730e+02 | |||
| Temperature range, min. | 517.80 | |||
| Temperature range, max. | 648.64 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 550 600 650 | ||||
| Pvap | 1.33 | kPa | 517.80 | Calculated Property |
| Pvap | 2.74 | kPa | 532.34 | Calculated Property |
| Pvap | 5.34 | kPa | 546.88 | Calculated Property |
| Pvap | 9.97 | kPa | 561.41 | Calculated Property |
| Pvap | 17.88 | kPa | 575.95 | Calculated Property |
| Pvap | 30.88 | kPa | 590.49 | Calculated Property |
| Pvap | 51.61 | kPa | 605.03 | Calculated Property |
| Pvap | 83.65 | kPa | 619.56 | Calculated Property |
| Pvap | 131.87 | kPa | 634.10 | Calculated Property |
| Pvap | 202.67 | kPa | 648.64 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonadecanoic acid, methyl ester.
Sources
- Crippen Method
- Crippen Method
- Heat Capacity Measurements of 13 Methyl Esters of n-Carboxylic Acids from Methyloctanoate to Methyleicosanoate between 5 K and 350 K
- 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.