- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [971.89; 1052.47] | J/mol×K | [940.43; 1155.84] |
|
| Cp,gas | 971.89 | J/mol×K | 940.43 | Joback Calculated Property |
| Cp,gas | 987.43 | J/mol×K | 976.33 | Joback Calculated Property |
| Cp,gas | 1002.04 | J/mol×K | 1012.23 | Joback Calculated Property |
| Cp,gas | 1015.78 | J/mol×K | 1048.13 | Joback Calculated Property |
| Cp,gas | 1028.72 | J/mol×K | 1084.03 | Joback Calculated Property |
| Cp,gas | 1040.92 | J/mol×K | 1119.93 | Joback Calculated Property |
| Cp,gas | 1052.47 | J/mol×K | 1155.84 | Joback Calculated Property |
| η | [0.0000013; 0.0001624] | Pa×s | [544.86; 940.43] |
|
| η | 0.0001624 | Pa×s | 544.86 | Joback Calculated Property |
| η | 0.0000467 | Pa×s | 610.79 | Joback Calculated Property |
| η | 0.0000171 | Pa×s | 676.72 | Joback Calculated Property |
| η | 0.0000075 | Pa×s | 742.64 | Joback Calculated Property |
| η | 0.0000038 | Pa×s | 808.57 | Joback Calculated Property |
| η | 0.0000021 | Pa×s | 874.50 | Joback Calculated Property |
| η | 0.0000013 | Pa×s | 940.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dihydroxystearic acid.
Sources
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