- 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
- CAS
- 68601-97-8
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -443.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -994.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.67 | kJ/mol | Joback Calculated Property |
| log10WS | -5.21 | Crippen Calculated Property | |
| logPoct/wat | 4.274 | Crippen Calculated Property | |
| McVol | 283.660 | ml/mol | McGowan Calculated Property |
| Pc | 1489.58 | kPa | Joback Calculated Property |
| Tboil | 940.77 | K | Joback Calculated Property |
| Tc | 1163.12 | K | Joback 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 | 1.095 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [969.16; 1050.21] | J/mol×K | [940.77; 1163.12] |
|
| Cp,gas | 969.16 | J/mol×K | 940.77 | Joback Calculated Property |
| Cp,gas | 985.06 | J/mol×K | 977.83 | Joback Calculated Property |
| Cp,gas | 999.92 | J/mol×K | 1014.89 | Joback Calculated Property |
| Cp,gas | 1013.79 | J/mol×K | 1051.95 | Joback Calculated Property |
| Cp,gas | 1026.75 | J/mol×K | 1089.00 | Joback Calculated Property |
| Cp,gas | 1038.87 | J/mol×K | 1126.06 | Joback Calculated Property |
| Cp,gas | 1050.21 | J/mol×K | 1163.12 | Joback Calculated Property |
| η | [0.0000003; 0.0003443] | Pa×s | [495.01; 940.77] |
|
| η | 0.0003443 | Pa×s | 495.01 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 569.30 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 643.60 | Joback Calculated Property |
| η | 0.0000031 | Pa×s | 717.89 | Joback Calculated Property |
| η | 0.0000012 | Pa×s | 792.18 | Joback Calculated Property |
| η | 0.0000005 | Pa×s | 866.48 | Joback Calculated Property |
| η | 0.0000003 | Pa×s | 940.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dihydroxystearic acid.
Sources
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