- InChI
- InChI=1S/C28H56O2/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(29)30/h2-27H2,1H3,(H,29,30)
- InChI Key
- UTOPWMOLSKOLTQ-UHFFFAOYSA-N
- Formula
- C28H56O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=
O)O - Molecular Weight1
- 424.75
- CAS
- 506-48-9
- Other Names
-
- Montanic acid
- Octacosanoic acid,synthetic
- 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).
- 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 | 1.4598 | Relay (1.0) Calculated Property | |
| ΔfG° | -159.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -980.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 78.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 170.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.234 | Crippen Calculated Property | |
| McVol | 412.820 | ml/mol | McGowan Calculated Property |
| Pc | 686.37 | kPa | Joback Calculated Property |
| Tboil | 665.09 | K | Relay (1.0) Calculated Property |
| Tc | 870.86 | K | Relay (1.0) Calculated Property |
| Tfus | 364.05 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.627 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [613.09; 1474.66] | 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 | -1.79640e+01 | |||
| Coefficient B | 2.71462e+00 | |||
| Coefficient C | -1.57200e-03 | |||
| Coefficient D | 3.50000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 613.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 761.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 893.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1011.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1115.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1207.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1288.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1359.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1420.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1474.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0121008; 0.0000343] | Pa×s | [364.05; 855.71] |
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 | -1.46215e+01 | |||
| Coefficient B | 3.71586e+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. | 364.05 | |||
| Temperature range, max. | 855.71 | |||
| η | 0.0121008 | Pa×s | 364.05 | Calculated Property |
| η | 0.0031947 | Pa×s | 418.68 | Calculated Property |
| η | 0.0011470 | Pa×s | 473.31 | Calculated Property |
| η | 0.0005090 | Pa×s | 527.94 | Calculated Property |
| η | 0.0002631 | Pa×s | 582.56 | Calculated Property |
| η | 0.0001523 | Pa×s | 637.19 | Calculated Property |
| η | 0.0000961 | Pa×s | 691.82 | Calculated Property |
| η | 0.0000648 | Pa×s | 746.45 | Calculated Property |
| η | 0.0000462 | Pa×s | 801.08 | Calculated Property |
| η | 0.0000343 | Pa×s | 855.71 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [641.32; 759.94] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.52624e+01 | |||
| Coefficient B | -1.17645e+04 | |||
| Coefficient C | -1.70264e+02 | |||
| Temperature range, min. | 641.32 | |||
| Temperature range, max. | 759.94 | |||
| Pvap | 1.33 | kPa | 641.32 | Calculated Property |
| Pvap | 2.63 | kPa | 654.50 | Calculated Property |
| Pvap | 5.01 | kPa | 667.68 | Calculated Property |
| Pvap | 9.22 | kPa | 680.86 | Calculated Property |
| Pvap | 16.47 | kPa | 694.04 | Calculated Property |
| Pvap | 28.58 | kPa | 707.22 | Calculated Property |
| Pvap | 48.31 | kPa | 720.40 | Calculated Property |
| Pvap | 79.67 | kPa | 733.58 | Calculated Property |
| Pvap | 128.43 | kPa | 746.76 | Calculated Property |
| Pvap | 202.66 | kPa | 759.94 | Calculated Property |
Similar Compounds
Find more compounds similar to OCTACOSANOIC 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
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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