- InChI
- InChI=1S/C21H32O5/c1-6-7-8-9-12-15-24-19(22)21(4,5)20(23)26-18-14-11-10-13-17(18)25-16(2)3/h10-11,13-14,16H,6-9,12,15H2,1-5H3
- InChI Key
- TVEYSSIOAMQUAA-UHFFFAOYSA-N
- Formula
- C21H32O5
- SMILES
-
CCCCCCCOC(=O)C(C)(C)C(=O)Oc1cc
ccc1OC(C)C - Molecular Weight1
- 364.48
- 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° | -343.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -887.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.32 | kJ/mol | Joback Calculated Property |
| log10WS | -5.66 | Crippen Calculated Property | |
| logPoct/wat | 4.919 | Crippen Calculated Property | |
| McVol | 303.740 | ml/mol | McGowan Calculated Property |
| Pc | 1261.06 | kPa | Joback Calculated Property |
| Inp | 2266.00 | NIST | |
| Tboil | 882.87 | K | Joback Calculated Property |
| Tc | 1091.16 | K | Joback Calculated Property |
| Tfus | 519.34 | K | Joback Calculated Property |
| Vc | 1.153 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.85; 1045.14] | J/mol×K | [882.87; 1091.16] | 
|
| Cp,gas | 967.85 | J/mol×K | 882.87 | Joback Calculated Property |
| Cp,gas | 983.85 | J/mol×K | 917.58 | Joback Calculated Property |
| Cp,gas | 998.55 | J/mol×K | 952.30 | Joback Calculated Property |
| Cp,gas | 1012.00 | J/mol×K | 987.01 | Joback Calculated Property |
| Cp,gas | 1024.23 | J/mol×K | 1021.73 | Joback Calculated Property |
| Cp,gas | 1035.26 | J/mol×K | 1056.44 | Joback Calculated Property |
| Cp,gas | 1045.14 | J/mol×K | 1091.16 | Joback Calculated Property |
| η | [0.0000254; 0.0003781] | Pa×s | [519.34; 882.87] |
|
| η | 0.0003781 | Pa×s | 519.34 | Joback Calculated Property |
| η | 0.0001905 | Pa×s | 579.93 | Joback Calculated Property |
| η | 0.0001093 | Pa×s | 640.52 | Joback Calculated Property |
| η | 0.0000690 | Pa×s | 701.10 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 761.69 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 822.28 | Joback Calculated Property |
| η | 0.0000254 | Pa×s | 882.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptyl 2-isopropoxyphenyl ester.
Sources
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