- InChI
- InChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
- InChI Key
- ULQISTXYYBZJSJ-UHFFFAOYSA-N
- Formula
- C18H36O3
- SMILES
- CCCCCCC(O)CCCCCCCCCCC(=O)O
- Molecular Weight1
- 300.48
- Other Names
-
- 12-Hydroxyoctadecanoic acid
- Barolub FTO
- Cerit Fac 3
- Ceroxin GL
- DL-12-Hydroxystearic acid
- Harwax A
- Hydrofol Acid 200
- KOW
- Loxiol G 21
- NSC 2385
- Octadecanoic acid, 12-hydroxy-
- Stearic acid, 12-hydroxy-
- 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).
- 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 | 1.1898 | Relay (1.0) Calculated Property | |
| ΔfG° | -382.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -928.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.55 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.303 | Crippen Calculated Property | |
| McVol | 277.790 | ml/mol | McGowan Calculated Property |
| Pc | 1315.61 | kPa | Joback Calculated Property |
| Tboil | 623.26 | K | Relay (1.0) Calculated Property |
| Tc | 833.66 | K | Relay (1.0) Calculated Property |
| Tfus | 350.90 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.068 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [413.14; 977.96] | 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 | -5.26500e+00 | |||
| Coefficient B | 1.80452e+00 | |||
| Coefficient C | -1.06160e-03 | |||
| Coefficient D | 2.40300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 413.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 510.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 598.15 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 675.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 744.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 804.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 857.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 903.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 943.11 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 977.95 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0238925; 0.0000298] | Pa×s | [350.90; 727.53] |
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 | -1.66486e+01 | |||
| Coefficient B | 4.53167e+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. | 350.90 | |||
| Temperature range, max. | 727.53 | |||
| η | 0.0238925 | Pa×s | 350.90 | Calculated Property |
| η | 0.0060346 | Pa×s | 392.75 | Calculated Property |
| η | 0.0019867 | Pa×s | 434.60 | Calculated Property |
| η | 0.0007950 | Pa×s | 476.44 | Calculated Property |
| η | 0.0003688 | Pa×s | 518.29 | Calculated Property |
| η | 0.0001919 | Pa×s | 560.14 | Calculated Property |
| η | 0.0001094 | Pa×s | 601.99 | Calculated Property |
| η | 0.0000671 | Pa×s | 643.84 | Calculated Property |
| η | 0.0000436 | Pa×s | 685.68 | Calculated Property |
| η | 0.0000298 | Pa×s | 727.53 | Calculated Property |
Similar Compounds
Find more compounds similar to 12-HYDROXYSTERIC 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
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