- 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 nonadecan-1-oate
- methyl nonadecanoate
- n-Nonadecanoic acid methyl ester
- 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).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.9630 | Relay (1.0) Calculated Property | |
| ΔfG° | -192.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -768.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.92 | kJ/mol | Heat Capacity Measurements of 13 Methyl Esters of n-Carboxylic Acids from Methyloctanoate to Methyleicosanoate between 5 K and 350 K |
| ΔvapH° | [109.50; 109.50] | kJ/mol |
|
| ΔvapH° | 109.50 ± 5.40 | kJ/mol | NIST |
| ΔvapH° | 109.50 ± 2.70 | kJ/mol | NIST |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.811 | Crippen Calculated Property | |
| McVol | 300.100 | ml/mol | McGowan Calculated Property |
| Pc | 1018.78 | 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 | |
| Inp | 2207.00 | NIST | |
| Inp | 2221.00 | NIST | |
| I | [2513.00; 2543.00] |
|
|
| I | 2513.00 | NIST | |
| I | 2543.00 | NIST | |
| I | 2534.00 | NIST | |
| I | 2539.00 | NIST | |
| Tboil | 588.61 | K | Relay (1.0) Calculated Property |
| Tc | 778.92 | K | Relay (1.0) Calculated Property |
| Tfus | 312.35 ± 0.40 | K | NIST |
| Vc | 1.184 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [898.83; 1004.02] | J/mol×K | [715.42; 883.67] |
|
| Cp,gas | 898.83 | J/mol×K | 715.42 | Joback Calculated Property |
| Cp,gas | 918.61 | J/mol×K | 743.46 | Joback Calculated Property |
| Cp,gas | 937.46 | J/mol×K | 771.50 | Joback Calculated Property |
| Cp,gas | 955.41 | J/mol×K | 799.55 | Joback Calculated Property |
| Cp,gas | 972.47 | J/mol×K | 827.59 | Joback Calculated Property |
| Cp,gas | 988.67 | J/mol×K | 855.63 | Joback Calculated Property |
| Cp,gas | 1004.02 | J/mol×K | 883.67 | Joback Calculated Property |
| η | [0.0000655; 0.0024348] | Pa×s | [357.49; 715.42] |
|
| η | 0.0024348 | Pa×s | 357.49 | Joback Calculated Property |
| η | 0.0008663 | Pa×s | 417.15 | Joback Calculated Property |
| η | 0.0003992 | Pa×s | 476.80 | Joback Calculated Property |
| η | 0.0002185 | Pa×s | 536.46 | Joback Calculated Property |
| η | 0.0001350 | Pa×s | 596.11 | Joback Calculated Property |
| η | 0.0000910 | Pa×s | 655.77 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 715.42 | 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 Yaws Handbook of Vapor Pressure
|
| 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 | |||
| 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
- Cheméo Relay (1.0)
- 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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