- InChI
- InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)
- InChI Key
- ISYWECDDZWTKFF-UHFFFAOYSA-N
- Formula
- C19H38O2
- SMILES
- CCCCCCCCCCCCCCCCCCC(=O)O
- Molecular Weight1
- 298.51
- CAS
- 646-30-0
- Other Names
-
- n-Nonadecanoic acid
- nonadecylic acid
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation 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.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 1.1456 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -11923.40 ± 2.30 | kJ/mol | NIST |
| ΔfG° | -234.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -795.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.11 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 192.00 | kJ/mol | NIST |
| ΔvapH° | 129.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.723 | Crippen Calculated Property | |
| McVol | 286.010 | ml/mol | McGowan Calculated Property |
| Pc | 1146.76 | kPa | Joback Calculated Property |
| Inp | [2236.00; 2236.00] |
|
|
| Inp | 2236.00 | NIST | |
| Inp | 2236.00 | NIST | |
| Tboil | 608.63 | K | Relay (1.0) Calculated Property |
| Tc | 811.64 | K | Relay (1.0) Calculated Property |
| Tfus | [338.80; 372.40] | K |
|
| Tfus | 342.35 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 341.45 ± 0.40 | K | NIST |
| Tfus | 372.40 ± 0.40 | K | NIST |
| Tfus | 372.40 ± 0.30 | K | NIST |
| Tfus | 341.33 ± 0.05 | K | NIST |
| Tfus | 338.80 ± 1.00 | K | NIST |
| Tfus | 340.70 ± 2.00 | K | NIST |
| Ttriple | [341.23; 341.23] | K |
|
| Ttriple | 341.23 ± 0.02 | K | NIST |
| Ttriple | 341.23 ± 0.02 | K | NIST |
| Vc | 1.125 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 525.35 | J/mol×K | 298.15 | NIST |
| ΔfusH | [9.76; 57.62] | kJ/mol | [338.00; 341.20] |
|
| ΔfusH | 9.76 | kJ/mol | 338.00 | NIST |
| ΔfusH | 57.00 | kJ/mol | 340.40 | NIST |
| ΔfusH | 57.62 | kJ/mol | 341.20 | NIST |
| ΔfusH | 57.62 | kJ/mol | 341.20 | NIST |
| ΔsubH | 143.60 | kJ/mol | 306.50 | NIST |
| ΔvapH | [94.40; 138.00] | kJ/mol | [298.00; 585.00] |
|
| ΔvapH | 138.00 | kJ/mol | 298.00 | Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids |
| ΔvapH | 121.80 | kJ/mol | 382.50 | NIST |
| ΔvapH | 94.40 | kJ/mol | 585.00 | NIST |
| ΔfusS | [28.87; 168.87] | J/mol×K | [338.00; 341.20] |
|
| ΔfusS | 28.87 | J/mol×K | 338.00 | NIST |
| ΔfusS | 168.87 | J/mol×K | 341.20 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [502.20; 570.70] | K | [1.30; 13.30] |
|
| Tboilr | 502.20 | K | 1.30 | NIST |
| Tboilr | 570.70 | K | 13.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.17; 1010.34] | 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 | -9.78300e+00 | |||
| Coefficient B | 1.85962e+00 | |||
| Coefficient C | -1.08240e-03 | |||
| Coefficient D | 2.42900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 422.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 523.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 613.86 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 694.33 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 765.58 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 828.37 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 883.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 931.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 973.69 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1010.34 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0068343; 0.0001343] | Pa×s | [349.92; 672.12] |
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 | -1.31832e+01 | |||
| Coefficient B | 2.86842e+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. | 349.92 | |||
| Temperature range, max. | 672.12 | |||
| η | 0.0068343 | Pa×s | 349.92 | Calculated Property |
| η | 0.0031935 | Pa×s | 385.72 | Calculated Property |
| η | 0.0016981 | Pa×s | 421.52 | Calculated Property |
| η | 0.0009968 | Pa×s | 457.32 | Calculated Property |
| η | 0.0006322 | Pa×s | 493.12 | Calculated Property |
| η | 0.0004265 | Pa×s | 528.92 | Calculated Property |
| η | 0.0003024 | Pa×s | 564.72 | Calculated Property |
| η | 0.0002234 | Pa×s | 600.52 | Calculated Property |
| η | 0.0001707 | Pa×s | 636.32 | Calculated Property |
| η | 0.0001343 | Pa×s | 672.12 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [526.52; 682.15] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.80999e+01 | |||
| Coefficient B | -7.05633e+03 | |||
| Coefficient C | -1.30371e+02 | |||
| Temperature range, min. | 526.52 | |||
| Temperature range, max. | 682.15 | |||
| Pvap | 1.33 | kPa | 526.52 | Calculated Property |
| Pvap | 2.81 | kPa | 543.81 | Calculated Property |
| Pvap | 5.57 | kPa | 561.10 | Calculated Property |
| Pvap | 10.49 | kPa | 578.40 | Calculated Property |
| Pvap | 18.83 | kPa | 595.69 | Calculated Property |
| Pvap | 32.42 | kPa | 612.98 | Calculated Property |
| Pvap | 53.76 | kPa | 630.27 | Calculated Property |
| Pvap | 86.18 | kPa | 647.57 | Calculated Property |
| Pvap | 134.00 | kPa | 664.86 | Calculated Property |
| Pvap | 202.67 | kPa | 682.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonadecanoic acid.
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
- Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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