- InChI
- InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(19)17(20)18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)
- InChI Key
- UAZFXPRZXKJSFJ-UHFFFAOYSA-N
- Formula
- C18H36O4
- SMILES
- CCCCCCCCCCCCCCCC(O)C(O)C(=O)O
- Molecular Weight1
- 316.48
- 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 | 1.2810 | Relay (1.0) Calculated Property | |
| ΔfG° | -521.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1068.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 138.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.274 | Crippen Calculated Property | |
| McVol | 283.660 | ml/mol | McGowan Calculated Property |
| Pc | 1416.50 | kPa | Joback Calculated Property |
| Tboil | 627.06 | K | Relay (1.0) Calculated Property |
| Tc | 856.95 | K | Relay (1.0) Calculated Property |
| Tfus | [380.00; 398.90] | K |
|
| Tfus | 398.90 ± 2.00 | K | NIST |
| Tfus | 397.40 ± 2.00 | K | NIST |
| Tfus | 398.40 ± 1.00 | K | NIST |
| Tfus | 380.00 ± 2.00 | K | NIST |
| Tfus | 380.00 ± 1.50 | K | NIST |
| Vc | 1.084 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.32; 997.16] | 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 | -1.65600e+00 | |||
| Coefficient B | 1.84442e+00 | |||
| Coefficient C | -1.09520e-03 | |||
| Coefficient D | 2.49600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 425.32 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 524.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 613.51 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 692.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 761.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 822.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 875.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 921.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 962.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 997.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0152884; 0.0000037] | Pa×s | [390.94; 809.08] |
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 | -2.02677e+01 | |||
| Coefficient B | 6.28908e+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. | 390.94 | |||
| Temperature range, max. | 809.08 | |||
| η | 0.0152884 | Pa×s | 390.94 | Calculated Property |
| η | 0.0027686 | Pa×s | 437.40 | Calculated Property |
| η | 0.0006961 | Pa×s | 483.86 | Calculated Property |
| η | 0.0002229 | Pa×s | 530.32 | Calculated Property |
| η | 0.0000858 | Pa×s | 576.78 | Calculated Property |
| η | 0.0000380 | Pa×s | 623.24 | Calculated Property |
| η | 0.0000189 | Pa×s | 669.70 | Calculated Property |
| η | 0.0000103 | Pa×s | 716.16 | Calculated Property |
| η | 0.0000060 | Pa×s | 762.62 | Calculated Property |
| η | 0.0000037 | Pa×s | 809.08 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dihydroxystearic acid.
Sources
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