- InChI
- InChI=1S/C27H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(28)31-26(24-29-2)25-30-3/h11-12,26H,4-10,13-25H2,1-3H3/b12-11-
- InChI Key
- BYVHUGYWFIJQMS-QXMHVHEDSA-N
- Formula
- C27H52O4
- SMILES
-
CCCCCCCCC=CCCCCCCCCCCCC(=O)OC(
COC)COC - Molecular Weight1
- 440.70
- 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° | -189.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -997.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.24 | kJ/mol | Joback Calculated Property |
| log10WS | -8.13 | Crippen Calculated Property | |
| logPoct/wat | 7.789 | Crippen Calculated Property | |
| McVol | 406.170 | ml/mol | McGowan Calculated Property |
| Pc | 715.68 | kPa | Joback Calculated Property |
| Inp | 3008.70 | NIST | |
| Tboil | 942.01 | K | Joback Calculated Property |
| Tc | 1159.93 | K | Joback Calculated Property |
| Tfus | 490.59 | K | Joback Calculated Property |
| Vc | 1.581 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1391.71; 1502.12] | J/mol×K | [942.01; 1159.93] | 
|
| Cp,gas | 1391.71 | J/mol×K | 942.01 | Joback Calculated Property |
| Cp,gas | 1414.17 | J/mol×K | 978.33 | Joback Calculated Property |
| Cp,gas | 1434.94 | J/mol×K | 1014.65 | Joback Calculated Property |
| Cp,gas | 1454.06 | J/mol×K | 1050.97 | Joback Calculated Property |
| Cp,gas | 1471.60 | J/mol×K | 1087.29 | Joback Calculated Property |
| Cp,gas | 1487.60 | J/mol×K | 1123.61 | Joback Calculated Property |
| Cp,gas | 1502.12 | J/mol×K | 1159.93 | Joback Calculated Property |
| η | [0.0000116; 0.0003479] | Pa×s | [490.59; 942.01] |
|
| η | 0.0003479 | Pa×s | 490.59 | Joback Calculated Property |
| η | 0.0001355 | Pa×s | 565.83 | Joback Calculated Property |
| η | 0.0000658 | Pa×s | 641.06 | Joback Calculated Property |
| η | 0.0000372 | Pa×s | 716.30 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 791.54 | Joback Calculated Property |
| η | 0.0000160 | Pa×s | 866.77 | Joback Calculated Property |
| η | 0.0000116 | Pa×s | 942.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-1,3-Dimethoxypropan-2-yl docos-13-enoate.
Sources
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