- InChI
- InChI=1S/C22H34O4/c1-4-5-6-7-8-9-13-17-25-20(23)22(2,3)21(24)26-18-16-19-14-11-10-12-15-19/h10-12,14-15H,4-9,13,16-18H2,1-3H3
- InChI Key
- GPZWTOWMOWLMDO-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CCCCCCCCCOC(=O)C(C)(C)C(=O)OCC
c1ccccc1 - Molecular Weight1
- 362.50
- 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 | 0.9431 | Relay (1.0) Calculated Property | |
| ΔfG° | -371.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -853.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.092 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1133.67 | kPa | Joback Calculated Property |
| Inp | [2416.00; 2416.00] |
|
|
| Inp | 2416.00 | NIST | |
| Inp | 2416.00 | NIST | |
| Tboil | 632.27 | K | Relay (1.0) Calculated Property |
| Tc | 843.71 | K | Relay (1.0) Calculated Property |
| Tfus | 272.42 | K | Relay (1.0) Calculated Property |
| Vc | 1.172 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [984.18; 1068.02] | J/mol×K | [842.85; 1042.93] |
|
| Cp,gas | 984.18 | J/mol×K | 842.85 | Joback Calculated Property |
| Cp,gas | 1001.17 | J/mol×K | 876.20 | Joback Calculated Property |
| Cp,gas | 1016.87 | J/mol×K | 909.54 | Joback Calculated Property |
| Cp,gas | 1031.36 | J/mol×K | 942.89 | Joback Calculated Property |
| Cp,gas | 1044.68 | J/mol×K | 976.24 | Joback Calculated Property |
| Cp,gas | 1056.89 | J/mol×K | 1009.58 | Joback Calculated Property |
| Cp,gas | 1068.02 | J/mol×K | 1042.93 | Joback Calculated Property |
| η | [0.0000248; 0.0008544] | Pa×s | [451.20; 842.85] |
|
| η | 0.0008544 | Pa×s | 451.20 | Joback Calculated Property |
| η | 0.0003264 | Pa×s | 516.48 | Joback Calculated Property |
| η | 0.0001547 | Pa×s | 581.75 | Joback Calculated Property |
| η | 0.0000853 | Pa×s | 647.02 | Joback Calculated Property |
| η | 0.0000524 | Pa×s | 712.30 | Joback Calculated Property |
| η | 0.0000350 | Pa×s | 777.57 | Joback Calculated Property |
| η | 0.0000248 | Pa×s | 842.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, nonyl 2-phenethyl ester.
Sources
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