- InChI
- InChI=1S/C18H26O4/c1-14(2)13-22-17(20)18(3,4)16(19)21-12-8-11-15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-13H2,1-4H3
- InChI Key
- NPJMRBUJLXYPCU-UHFFFAOYSA-N
- Formula
- C18H26O4
- SMILES
-
CC(C)COC(=O)C(C)(C)C(=O)OCCCc1
ccccc1 - Molecular Weight1
- 306.40
- 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° | -254.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -681.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.57 | kJ/mol | Joback Calculated Property |
| log10WS | -3.70 | Crippen Calculated Property | |
| logPoct/wat | 3.388 | Crippen Calculated Property | |
| McVol | 255.600 | ml/mol | McGowan Calculated Property |
| Pc | 1605.13 | kPa | Joback Calculated Property |
| Inp | [2001.00; 2001.00] |
|
|
| Inp | 2001.00 | NIST | |
| Inp | 2001.00 | NIST | |
| Tboil | 786.83 | K | Joback Calculated Property |
| Tc | 995.48 | K | Joback Calculated Property |
| Tfus | 450.78 | K | Joback Calculated Property |
| Vc | 0.967 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [764.08; 845.14] | J/mol×K | [786.83; 995.48] |
|
| Cp,gas | 764.08 | J/mol×K | 786.83 | Joback Calculated Property |
| Cp,gas | 780.34 | J/mol×K | 821.61 | Joback Calculated Property |
| Cp,gas | 795.43 | J/mol×K | 856.38 | Joback Calculated Property |
| Cp,gas | 809.42 | J/mol×K | 891.16 | Joback Calculated Property |
| Cp,gas | 822.33 | J/mol×K | 925.93 | Joback Calculated Property |
| Cp,gas | 834.23 | J/mol×K | 960.71 | Joback Calculated Property |
| Cp,gas | 845.14 | J/mol×K | 995.48 | Joback Calculated Property |
| η | [0.0000531; 0.0009577] | Pa×s | [450.78; 786.83] |
|
| η | 0.0009577 | Pa×s | 450.78 | Joback Calculated Property |
| η | 0.0004530 | Pa×s | 506.79 | Joback Calculated Property |
| η | 0.0002487 | Pa×s | 562.80 | Joback Calculated Property |
| η | 0.0001522 | Pa×s | 618.81 | Joback Calculated Property |
| η | 0.0001010 | Pa×s | 674.81 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 730.82 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 786.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isobutyl 3-phenylpropyl ester.
Sources
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