- InChI
- InChI=1S/C18H26O4/c1-4-5-9-13-21-16(19)18(2,3)17(20)22-14-12-15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12-14H2,1-3H3
- InChI Key
- FBIOGUUGPBOCER-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
CCCCCOC(=O)C(C)(C)C(=O)OCCc1cc
ccc1 - Molecular Weight1
- 306.40
- 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 | 0.7825 | Relay (1.0) Calculated Property | |
| ΔfG° | -251.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -771.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.532 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1594.89 | kPa | Joback Calculated Property |
| Inp | 2019.00 | NIST | |
| Tboil | 601.67 | K | Relay (1.0) Calculated Property |
| Tc | 808.13 | K | Relay (1.0) Calculated Property |
| Tfus | 264.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.952 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [763.54; 843.88] | J/mol×K | [787.27; 993.13] | 
|
| Cp,gas | 763.54 | J/mol×K | 787.27 | Joback Calculated Property |
| Cp,gas | 779.58 | J/mol×K | 821.58 | Joback Calculated Property |
| Cp,gas | 794.50 | J/mol×K | 855.89 | Joback Calculated Property |
| Cp,gas | 808.35 | J/mol×K | 890.20 | Joback Calculated Property |
| Cp,gas | 821.17 | J/mol×K | 924.51 | Joback Calculated Property |
| Cp,gas | 832.99 | J/mol×K | 958.82 | Joback Calculated Property |
| Cp,gas | 843.88 | J/mol×K | 993.13 | Joback Calculated Property |
| η | [0.0000577; 0.0008118] | Pa×s | [465.78; 787.27] |
|
| η | 0.0008118 | Pa×s | 465.78 | Joback Calculated Property |
| η | 0.0004162 | Pa×s | 519.36 | Joback Calculated Property |
| η | 0.0002418 | Pa×s | 572.94 | Joback Calculated Property |
| η | 0.0001542 | Pa×s | 626.52 | Joback Calculated Property |
| η | 0.0001055 | Pa×s | 680.11 | Joback Calculated Property |
| η | 0.0000763 | Pa×s | 733.69 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 787.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, pentyl 2-phenethyl ester.
Sources
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