- InChI
- InChI=1S/C27H44O5/c1-6-7-8-9-10-11-12-13-14-15-18-21-30-25(28)27(4,5)26(29)32-24-20-17-16-19-23(24)31-22(2)3/h16-17,19-20,22H,6-15,18,21H2,1-5H3
- InChI Key
- RPYOAPUFBGYSDH-UHFFFAOYSA-N
- Formula
- C27H44O5
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O
)Oc1ccccc1OC(C)C - Molecular Weight1
- 448.64
- 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° | -293.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1011.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.67 | kJ/mol | Joback Calculated Property |
| log10WS | -8.17 | Crippen Calculated Property | |
| logPoct/wat | 7.260 | Crippen Calculated Property | |
| McVol | 388.280 | ml/mol | McGowan Calculated Property |
| Pc | 869.14 | kPa | Joback Calculated Property |
| Inp | [2851.00; 2851.00] |
|
|
| Inp | 2851.00 | NIST | |
| Inp | 2851.00 | NIST | |
| Tboil | 1020.15 | K | Joback Calculated Property |
| Tc | 1249.96 | K | Joback Calculated Property |
| Tfus | 586.96 | K | Joback Calculated Property |
| Vc | 1.488 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1335.85; 1412.93] | J/mol×K | [1020.15; 1249.96] |
|
| Cp,gas | 1335.85 | J/mol×K | 1020.15 | Joback Calculated Property |
| Cp,gas | 1352.72 | J/mol×K | 1058.45 | Joback Calculated Property |
| Cp,gas | 1367.90 | J/mol×K | 1096.75 | Joback Calculated Property |
| Cp,gas | 1381.44 | J/mol×K | 1135.06 | Joback Calculated Property |
| Cp,gas | 1393.41 | J/mol×K | 1173.36 | Joback Calculated Property |
| Cp,gas | 1403.88 | J/mol×K | 1211.66 | Joback Calculated Property |
| Cp,gas | 1412.93 | J/mol×K | 1249.96 | Joback Calculated Property |
| η | [0.0000098; 0.0001734] | Pa×s | [586.96; 1020.15] |
|
| η | 0.0001734 | Pa×s | 586.96 | Joback Calculated Property |
| η | 0.0000826 | Pa×s | 659.16 | Joback Calculated Property |
| η | 0.0000456 | Pa×s | 731.36 | Joback Calculated Property |
| η | 0.0000280 | Pa×s | 803.56 | Joback Calculated Property |
| η | 0.0000186 | Pa×s | 875.75 | Joback Calculated Property |
| η | 0.0000132 | Pa×s | 947.95 | Joback Calculated Property |
| η | 0.0000098 | Pa×s | 1020.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-isopropoxyphenyl tridecyl ester.
Sources
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