- InChI
- InChI=1S/C33H56O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-24-27-36-31(34)33(7-2,8-3)32(35)38-30-26-23-22-25-29(30)37-28(4)5/h22-23,25-26,28H,6-21,24,27H2,1-5H3
- InChI Key
- OEHNAUQGGPXAPO-UHFFFAOYSA-N
- Formula
- C33H56O5
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(CC)(C
C)C(=O)Oc1ccccc1OC(C)C - Molecular Weight1
- 532.79
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.3444 | Relay (1.0) Calculated Property | |
| ΔfG° | -242.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1221.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.600 | Crippen Calculated Property | |
| McVol | 472.820 | ml/mol | McGowan Calculated Property |
| Pc | 635.12 | kPa | Joback Calculated Property |
| Inp | 3458.00 | NIST | |
| Tboil | 702.01 | K | Relay (1.0) Calculated Property |
| Tc | 920.12 | K | Relay (1.0) Calculated Property |
| Tfus | 326.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.759 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1716.35; 1792.15] | J/mol×K | [1157.43; 1451.40] | 
|
| Cp,gas | 1716.35 | J/mol×K | 1157.43 | Joback Calculated Property |
| Cp,gas | 1735.06 | J/mol×K | 1206.43 | Joback Calculated Property |
| Cp,gas | 1751.08 | J/mol×K | 1255.42 | Joback Calculated Property |
| Cp,gas | 1764.61 | J/mol×K | 1304.42 | Joback Calculated Property |
| Cp,gas | 1775.84 | J/mol×K | 1353.41 | Joback Calculated Property |
| Cp,gas | 1784.95 | J/mol×K | 1402.41 | Joback Calculated Property |
| Cp,gas | 1792.15 | J/mol×K | 1451.40 | Joback Calculated Property |
| η | [0.0000036; 0.0000735] | Pa×s | [654.58; 1157.43] |
|
| η | 0.0000735 | Pa×s | 654.58 | Joback Calculated Property |
| η | 0.0000335 | Pa×s | 738.39 | Joback Calculated Property |
| η | 0.0000179 | Pa×s | 822.20 | Joback Calculated Property |
| η | 0.0000107 | Pa×s | 906.00 | Joback Calculated Property |
| η | 0.0000070 | Pa×s | 989.81 | Joback Calculated Property |
| η | 0.0000049 | Pa×s | 1073.62 | Joback Calculated Property |
| η | 0.0000036 | Pa×s | 1157.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, heptadecyl 2-isopropoxyphenyl ester.
Sources
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