- InChI
- InChI=1S/C28H46O4/c1-6-9-10-11-12-13-14-15-16-17-18-22-31-26(29)28(7-2,8-3)27(30)32-25-21-19-20-23(4)24(25)5/h19-21H,6-18,22H2,1-5H3
- InChI Key
- RYTWXOWMMFNORR-UHFFFAOYSA-N
- Formula
- C28H46O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)Oc1cccc(C)c1C - Molecular Weight1
- 446.66
- 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° | -186.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -906.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.54 | kJ/mol | Joback Calculated Property |
| log10WS | -8.89 | Crippen Calculated Property | |
| logPoct/wat | 7.869 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 819.13 | kPa | Joback Calculated Property |
| Inp | 3014.00 | NIST | |
| Tboil | 1026.03 | K | Joback Calculated Property |
| Tc | 1258.19 | K | Joback Calculated Property |
| Tfus | 603.52 | K | Joback Calculated Property |
| Vc | 1.532 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1368.85; 1454.63] | J/mol×K | [1026.03; 1258.19] | 
|
| Cp,gas | 1368.85 | J/mol×K | 1026.03 | Joback Calculated Property |
| Cp,gas | 1386.88 | J/mol×K | 1064.72 | Joback Calculated Property |
| Cp,gas | 1403.30 | J/mol×K | 1103.42 | Joback Calculated Property |
| Cp,gas | 1418.21 | J/mol×K | 1142.11 | Joback Calculated Property |
| Cp,gas | 1431.67 | J/mol×K | 1180.80 | Joback Calculated Property |
| Cp,gas | 1443.79 | J/mol×K | 1219.50 | Joback Calculated Property |
| Cp,gas | 1454.63 | J/mol×K | 1258.19 | Joback Calculated Property |
| η | [0.0000129; 0.0001789] | Pa×s | [603.52; 1026.03] |
|
| η | 0.0001789 | Pa×s | 603.52 | Joback Calculated Property |
| η | 0.0000918 | Pa×s | 673.94 | Joback Calculated Property |
| η | 0.0000534 | Pa×s | 744.36 | Joback Calculated Property |
| η | 0.0000341 | Pa×s | 814.77 | Joback Calculated Property |
| η | 0.0000234 | Pa×s | 885.19 | Joback Calculated Property |
| η | 0.0000170 | Pa×s | 955.61 | Joback Calculated Property |
| η | 0.0000129 | Pa×s | 1026.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 2,3-dimethylphenyl tridecyl ester.
Sources
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