- InChI
- InChI=1S/C19H28O4/c1-4-5-9-14-22-17(20)19(2,3)18(21)23-15-10-13-16-11-7-6-8-12-16/h6-8,11-12H,4-5,9-10,13-15H2,1-3H3
- InChI Key
- XLSRUFAIYJHDEG-UHFFFAOYSA-N
- Formula
- C19H28O4
- SMILES
-
CCCCCOC(=O)C(C)(C)C(=O)OCCCc1c
cccc1 - Molecular Weight1
- 320.42
- 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 | 0.8215 | Relay (1.0) Calculated Property | |
| ΔfG° | -396.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.922 | Crippen Calculated Property | |
| McVol | 269.690 | ml/mol | McGowan Calculated Property |
| Pc | 1390.22 | kPa | Joback Calculated Property |
| Inp | [2133.00; 2133.00] |
|
|
| Inp | 2133.00 | NIST | |
| Inp | 2133.00 | NIST | |
| Tboil | 613.08 | K | Relay (1.0) Calculated Property |
| Tc | 819.11 | K | Relay (1.0) Calculated Property |
| Tfus | 263.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.010 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [808.34; 890.98] | J/mol×K | [774.21; 974.59] |
|
| Cp,gas | 808.34 | J/mol×K | 774.21 | Joback Calculated Property |
| Cp,gas | 824.99 | J/mol×K | 807.61 | Joback Calculated Property |
| Cp,gas | 840.44 | J/mol×K | 841.00 | Joback Calculated Property |
| Cp,gas | 854.72 | J/mol×K | 874.40 | Joback Calculated Property |
| Cp,gas | 867.87 | J/mol×K | 907.80 | Joback Calculated Property |
| Cp,gas | 879.95 | J/mol×K | 941.19 | Joback Calculated Property |
| Cp,gas | 890.98 | J/mol×K | 974.59 | Joback Calculated Property |
| η | [0.0000397; 0.0012920] | Pa×s | [417.39; 774.21] |
|
| η | 0.0012920 | Pa×s | 417.39 | Joback Calculated Property |
| η | 0.0005037 | Pa×s | 476.86 | Joback Calculated Property |
| η | 0.0002420 | Pa×s | 536.33 | Joback Calculated Property |
| η | 0.0001346 | Pa×s | 595.80 | Joback Calculated Property |
| η | 0.0000832 | Pa×s | 655.27 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 714.74 | Joback Calculated Property |
| η | 0.0000397 | Pa×s | 774.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, pentyl 3-phenylpropyl ester.
Sources
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