- InChI
- InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3
- InChI Key
- IEDKVDCIEARIIU-UHFFFAOYSA-N
- Formula
- C19H38O
- SMILES
- CCCCCCCCCCCCCCCCCC(C)=O
- Molecular Weight1
- 282.50
- CAS
- 629-66-3
- Other Names
-
- Methyl heptadecyl ketone
- nonadecan-2-one
- 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.
- 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 | 0.8912 | Relay (1.0) Calculated Property | |
| ΔfG° | -19.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -571.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.837 | Crippen Calculated Property | |
| McVol | 280.140 | ml/mol | McGowan Calculated Property |
| Pc | 1126.83 | kPa | Joback Calculated Property |
| Inp | [348.32; 2106.00] |
|
|
| Inp | 2090.70 | NIST | |
| Inp | 2087.10 | NIST | |
| Inp | 2090.10 | NIST | |
| Inp | 2066.30 | NIST | |
| Inp | 2106.00 | NIST | |
| Inp | 2071.00 | NIST | |
| Inp | 2101.00 | NIST | |
| Inp | 2085.00 | NIST | |
| Inp | 2100.00 | NIST | |
| Inp | 2071.00 | NIST | |
| Inp | Outlier 348.32 | NIST | |
| Inp | 2106.00 | NIST | |
| Inp | 2101.00 | NIST | |
| Inp | 2100.00 | NIST | |
| Inp | 2071.00 | NIST | |
| Inp | 2090.70 | NIST | |
| Inp | Outlier 348.32 | NIST | |
| Tboil | 588.80 | K | Relay (1.0) Calculated Property |
| Tc | 778.28 | K | Relay (1.0) Calculated Property |
| Tfus | [328.00; 329.15] | K |
|
| Tfus | 329.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 328.00 ± 0.10 | K | NIST |
| Vc | 1.104 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [68.65; 68.65] | kJ/mol | [328.00; 328.00] |
|
| ΔfusH | 68.65 | kJ/mol | 328.00 | NIST |
| ΔfusH | 68.65 | kJ/mol | 328.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 539.70 | K | 14.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [409.47; 988.58] | 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 | -7.02400e+00 | |||
| Coefficient B | 1.78084e+00 | |||
| Coefficient C | -9.91100e-04 | |||
| Coefficient D | 2.05860e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 409.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 508.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 596.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 675.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 745.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 808.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 862.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 910.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 952.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 988.58 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0045558; 0.0001811] | Pa×s | [328.57; 599.29] |
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 | -1.25303e+01 | |||
| Coefficient B | 2.34567e+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. | 328.57 | |||
| Temperature range, max. | 599.29 | |||
| η | 0.0045558 | Pa×s | 328.57 | Calculated Property |
| η | 0.0025034 | Pa×s | 358.65 | Calculated Property |
| η | 0.0015092 | Pa×s | 388.73 | Calculated Property |
| η | 0.0009784 | Pa×s | 418.81 | Calculated Property |
| η | 0.0006723 | Pa×s | 448.89 | Calculated Property |
| η | 0.0004842 | Pa×s | 478.97 | Calculated Property |
| η | 0.0003625 | Pa×s | 509.05 | Calculated Property |
| η | 0.0002803 | Pa×s | 539.13 | Calculated Property |
| η | 0.0002228 | Pa×s | 569.21 | Calculated Property |
| η | 0.0001811 | Pa×s | 599.29 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [470.42; 660.72] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.47620e+01 | |||
| Coefficient B | -5.18154e+03 | |||
| Coefficient C | -1.12440e+02 | |||
| Temperature range, min. | 470.42 | |||
| Temperature range, max. | 660.72 | |||
| Pvap | 1.33 | kPa | 470.42 | Calculated Property |
| Pvap | 2.99 | kPa | 491.56 | Calculated Property |
| Pvap | 6.15 | kPa | 512.71 | Calculated Property |
| Pvap | 11.78 | kPa | 533.85 | Calculated Property |
| Pvap | 21.20 | kPa | 555.00 | Calculated Property |
| Pvap | 36.15 | kPa | 576.14 | Calculated Property |
| Pvap | 58.85 | kPa | 597.29 | Calculated Property |
| Pvap | 91.98 | kPa | 618.43 | Calculated Property |
| Pvap | 138.71 | kPa | 639.58 | Calculated Property |
| Pvap | 202.64 | kPa | 660.72 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Nonadecanone.
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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