- InChI
- InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28)
- InChI Key
- XMHIUKTWLZUKEX-UHFFFAOYSA-N
- Formula
- C26H52O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)
O - Molecular Weight1
- 396.69
- CAS
- 506-46-7
- Other Names
-
- Cerinic acid
- Cerotic acid
- Hexacosanic acid
- ceratinic acid
- ceric acid
- 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).
- 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).
- 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 | 1.3900 | Relay (1.0) Calculated Property | |
| ΔfG° | -175.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -939.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 161.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.453 | Crippen Calculated Property | |
| McVol | 384.640 | ml/mol | McGowan Calculated Property |
| Pc | 761.00 | kPa | Joback Calculated Property |
| Tboil | 652.76 | K | Relay (1.0) Calculated Property |
| Tc | 858.68 | K | Relay (1.0) Calculated Property |
| Tfus | 359.45 ± 2.00 | K | NIST |
| Vc | 1.517 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 177.20 | kJ/mol | 298.15 | Vaporization, Sublimation and Fusion Enthalpies of Some Saturated and Unsaturated Long Chain Fatty Acids by Correlation Gas Chromatography |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [570.66; 1371.47] | 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 | -1.61460e+01 | |||
| Coefficient B | 2.52462e+00 | |||
| Coefficient C | -1.46320e-03 | |||
| Coefficient D | 3.26200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 570.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 708.32 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 831.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 940.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1037.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1123.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1198.59 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1264.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1321.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1371.47 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0113549; 0.0000484] | Pa×s | [359.45; 809.67] |
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 | -1.42918e+01 | |||
| Coefficient B | 3.52754e+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. | 359.45 | |||
| Temperature range, max. | 809.67 | |||
| η | 0.0113549 | Pa×s | 359.45 | Calculated Property |
| η | 0.0034238 | Pa×s | 409.47 | Calculated Property |
| η | 0.0013403 | Pa×s | 459.50 | Calculated Property |
| η | 0.0006308 | Pa×s | 509.52 | Calculated Property |
| η | 0.0003397 | Pa×s | 559.55 | Calculated Property |
| η | 0.0002025 | Pa×s | 609.57 | Calculated Property |
| η | 0.0001305 | Pa×s | 659.59 | Calculated Property |
| η | 0.0000895 | Pa×s | 709.62 | Calculated Property |
| η | 0.0000645 | Pa×s | 759.64 | Calculated Property |
| η | 0.0000484 | Pa×s | 809.67 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.68] | kPa | [615.72; 744.67] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.30137e+01 | |||
| Coefficient B | -1.03256e+04 | |||
| Coefficient C | -1.61368e+02 | |||
| Temperature range, min. | 615.72 | |||
| Temperature range, max. | 744.67 | |||
| Pvap | 1.33 | kPa | 615.72 | Calculated Property |
| Pvap | 2.67 | kPa | 630.05 | Calculated Property |
| Pvap | 5.13 | kPa | 644.38 | Calculated Property |
| Pvap | 9.50 | kPa | 658.70 | Calculated Property |
| Pvap | 17.00 | kPa | 673.03 | Calculated Property |
| Pvap | 29.45 | kPa | 687.36 | Calculated Property |
| Pvap | 49.57 | kPa | 701.69 | Calculated Property |
| Pvap | 81.21 | kPa | 716.01 | Calculated Property |
| Pvap | 129.78 | kPa | 730.34 | Calculated Property |
| Pvap | 202.68 | kPa | 744.67 | Calculated Property |
Similar Compounds
Find more compounds similar to Hexacosanoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vaporization, Sublimation and Fusion Enthalpies of Some Saturated and Unsaturated Long Chain Fatty Acids by Correlation Gas Chromatography
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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