- InChI
- InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3
- InChI Key
- GNSDEDOVXZDMKM-UHFFFAOYSA-N
- Formula
- C23H44O5
- SMILES
-
CCCCCCCCCC(=O)OCC(CO)OC(=O)CCC
CCCCCC - Molecular Weight1
- 400.59
- CAS
- 17863-69-3
- 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).
- Inp : Non-polar retention indices.
- 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° | -464.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1165.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.39 | kJ/mol | Joback Calculated Property |
| log10WS | -6.55 | Crippen Calculated Property | |
| logPoct/wat | 5.715 | Crippen Calculated Property | |
| McVol | 355.680 | ml/mol | McGowan Calculated Property |
| Pc | 956.14 | kPa | Joback Calculated Property |
| Inp | [2752.70; 2752.70] |
|
|
| Inp | 2752.70 | NIST | |
| Inp | 2752.70 | NIST | |
| Tboil | 969.96 | K | Joback Calculated Property |
| Tc | 1198.35 | K | Joback Calculated Property |
| Tfus | 539.11 | K | Joback Calculated Property |
| Vc | 1.385 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1225.37; 1313.21] | J/mol×K | [969.96; 1198.35] |
|
| Cp,gas | 1225.37 | J/mol×K | 969.96 | Joback Calculated Property |
| Cp,gas | 1243.95 | J/mol×K | 1008.03 | Joback Calculated Property |
| Cp,gas | 1260.89 | J/mol×K | 1046.09 | Joback Calculated Property |
| Cp,gas | 1276.24 | J/mol×K | 1084.16 | Joback Calculated Property |
| Cp,gas | 1290.04 | J/mol×K | 1122.22 | Joback Calculated Property |
| Cp,gas | 1302.35 | J/mol×K | 1160.29 | Joback Calculated Property |
| Cp,gas | 1313.21 | J/mol×K | 1198.35 | Joback Calculated Property |
| η | [0.0000039; 0.0002359] | Pa×s | [539.11; 969.96] |
|
| η | 0.0002359 | Pa×s | 539.11 | Joback Calculated Property |
| η | 0.0000798 | Pa×s | 610.92 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 682.73 | Joback Calculated Property |
| η | 0.0000170 | Pa×s | 754.53 | Joback Calculated Property |
| η | 0.0000096 | Pa×s | 826.34 | Joback Calculated Property |
| η | 0.0000059 | Pa×s | 898.15 | Joback Calculated Property |
| η | 0.0000039 | Pa×s | 969.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dicaprin.
Sources
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