- InChI
- InChI=1S/C27H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-27(28)25-26(2)3/h26H,4-25H2,1-3H3
- InChI Key
- OFRPMAQLXIEORX-UHFFFAOYSA-N
- Formula
- C27H54O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC
(C)C - Molecular Weight1
- 410.72
- CAS
- 202659-53-8
- 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).
- 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° | -59.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -850.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.46 | kJ/mol | Joback Calculated Property |
| log10WS | -9.75 | Crippen Calculated Property | |
| logPoct/wat | 9.398 | Crippen Calculated Property | |
| McVol | 398.730 | ml/mol | McGowan Calculated Property |
| Pc | 708.84 | kPa | Joback Calculated Property |
| Inp | [2841.40; 2841.40] |
|
|
| Inp | 2841.40 | NIST | |
| Inp | 2841.40 | NIST | |
| Tboil | 893.01 | K | Joback Calculated Property |
| Tc | 1096.23 | K | Joback Calculated Property |
| Tfus | 451.21 | K | Joback Calculated Property |
| Vc | 1.565 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1350.92; 1471.36] | J/mol×K | [893.01; 1096.23] |
|
| Cp,gas | 1350.92 | J/mol×K | 893.01 | Joback Calculated Property |
| Cp,gas | 1374.45 | J/mol×K | 926.88 | Joback Calculated Property |
| Cp,gas | 1396.52 | J/mol×K | 960.75 | Joback Calculated Property |
| Cp,gas | 1417.19 | J/mol×K | 994.62 | Joback Calculated Property |
| Cp,gas | 1436.51 | J/mol×K | 1028.49 | Joback Calculated Property |
| Cp,gas | 1454.55 | J/mol×K | 1062.36 | Joback Calculated Property |
| Cp,gas | 1471.36 | J/mol×K | 1096.23 | Joback Calculated Property |
| η | [0.0000245; 0.0008713] | Pa×s | [451.21; 893.01] |
|
| η | 0.0008713 | Pa×s | 451.21 | Joback Calculated Property |
| η | 0.0003163 | Pa×s | 524.84 | Joback Calculated Property |
| η | 0.0001473 | Pa×s | 598.48 | Joback Calculated Property |
| η | 0.0000811 | Pa×s | 672.11 | Joback Calculated Property |
| η | 0.0000503 | Pa×s | 745.74 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 819.38 | Joback Calculated Property |
| η | 0.0000245 | Pa×s | 893.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Docosyl, isovalerate.
Sources
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