- InChI
- InChI=1S/C23H46O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)24/h3-22H2,1-2H3
- InChI Key
- HMGAHRPPRPQDAS-UHFFFAOYSA-N
- Formula
- C23H46O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCC(C)=O
- Molecular Weight1
- 338.61
- 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).
- 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).
- 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 | 1.0315 | Relay (1.0) Calculated Property | |
| ΔfG° | 13.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.397 | Crippen Calculated Property | |
| McVol | 336.500 | ml/mol | McGowan Calculated Property |
| Pc | 884.19 | kPa | Joback Calculated Property |
| Inp | [402.17; 2513.00] |
|
|
| Inp | 2513.00 | NIST | |
| Inp | 402.17 | NIST | |
| Tboil | 614.23 | K | Relay (1.0) Calculated Property |
| Tc | 806.90 | K | Relay (1.0) Calculated Property |
| Tfus | 337.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.329 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [494.32; 1194.94] | 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 | -1.06600e+01 | |||
| Coefficient B | 2.16084e+00 | |||
| Coefficient C | -1.20870e-03 | |||
| Coefficient D | 2.53460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 494.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 613.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 720.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 816.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 901.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 976.80 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1042.91 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1100.78 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1151.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1194.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017989; 0.0001141] | Pa×s | [398.90; 669.41] |
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 | -1.31451e+01 | |||
| Coefficient B | 2.72231e+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. | 398.90 | |||
| Temperature range, max. | 669.41 | |||
| η | 0.0017989 | Pa×s | 398.90 | Calculated Property |
| η | 0.0011151 | Pa×s | 428.96 | Calculated Property |
| η | 0.0007360 | Pa×s | 459.01 | Calculated Property |
| η | 0.0005112 | Pa×s | 489.07 | Calculated Property |
| η | 0.0003703 | Pa×s | 519.13 | Calculated Property |
| η | 0.0002779 | Pa×s | 549.18 | Calculated Property |
| η | 0.0002149 | Pa×s | 579.24 | Calculated Property |
| η | 0.0001704 | Pa×s | 609.30 | Calculated Property |
| η | 0.0001381 | Pa×s | 639.35 | Calculated Property |
| η | 0.0001141 | Pa×s | 669.41 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [512.92; 711.65] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.50666e+01 | |||
| Coefficient B | -5.70300e+03 | |||
| Coefficient C | -1.27035e+02 | |||
| Temperature range, min. | 512.92 | |||
| Temperature range, max. | 711.65 | |||
| Pvap | 1.33 | kPa | 512.92 | Calculated Property |
| Pvap | 2.97 | kPa | 535.00 | Calculated Property |
| Pvap | 6.08 | kPa | 557.08 | Calculated Property |
| Pvap | 11.62 | kPa | 579.16 | Calculated Property |
| Pvap | 20.91 | kPa | 601.24 | Calculated Property |
| Pvap | 35.71 | kPa | 623.33 | Calculated Property |
| Pvap | 58.26 | kPa | 645.41 | Calculated Property |
| Pvap | 91.32 | kPa | 667.49 | Calculated Property |
| Pvap | 138.18 | kPa | 689.57 | Calculated Property |
| Pvap | 202.65 | kPa | 711.65 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Tricosanone.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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