- InChI
- InChI=1S/C18H26O5/c1-6-18(7-2,16(19)22-12-13(3)4)17(20)23-15-10-8-9-14(11-15)21-5/h8-11,13H,6-7,12H2,1-5H3
- InChI Key
- IWYLHMKCPCZBRC-UHFFFAOYSA-N
- Formula
- C18H26O5
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
ccc(OC)c1 - Molecular Weight1
- 322.40
- 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° | -368.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -825.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.64 | kJ/mol | Joback Calculated Property |
| log10WS | -4.05 | Crippen Calculated Property | |
| logPoct/wat | 3.606 | Crippen Calculated Property | |
| McVol | 261.470 | ml/mol | McGowan Calculated Property |
| Pc | 1564.75 | kPa | Joback Calculated Property |
| Inp | 2113.00 | NIST | |
| Tboil | 814.23 | K | Joback Calculated Property |
| Tc | 1022.96 | K | Joback Calculated Property |
| Tfus | 485.53 | K | Joback Calculated Property |
| Vc | 0.985 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [791.91; 868.39] | J/mol×K | [814.23; 1022.96] | 
|
| Cp,gas | 791.91 | J/mol×K | 814.23 | Joback Calculated Property |
| Cp,gas | 807.53 | J/mol×K | 849.02 | Joback Calculated Property |
| Cp,gas | 821.97 | J/mol×K | 883.81 | Joback Calculated Property |
| Cp,gas | 835.26 | J/mol×K | 918.59 | Joback Calculated Property |
| Cp,gas | 847.41 | J/mol×K | 953.38 | Joback Calculated Property |
| Cp,gas | 858.44 | J/mol×K | 988.17 | Joback Calculated Property |
| Cp,gas | 868.39 | J/mol×K | 1022.96 | Joback Calculated Property |
| η | [0.0000399; 0.0005362] | Pa×s | [485.53; 814.23] |
|
| η | 0.0005362 | Pa×s | 485.53 | Joback Calculated Property |
| η | 0.0002792 | Pa×s | 540.31 | Joback Calculated Property |
| η | 0.0001640 | Pa×s | 595.10 | Joback Calculated Property |
| η | 0.0001053 | Pa×s | 649.88 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 704.66 | Joback Calculated Property |
| η | 0.0000526 | Pa×s | 759.45 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 814.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 3-methoxyphenyl ester.
Sources
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