- InChI
- InChI=1S/C18H34O4/c1-6-7-8-9-10-13-21-16(19)18(4,5)17(20)22-14-11-12-15(2)3/h15H,6-14H2,1-5H3
- InChI Key
- KQUJGBIKGZBJIV-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCCCCCCOC(=O)C(C)(C)C(=O)OCCCC
(C)C - Molecular Weight1
- 314.46
- 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 | 0.8446 | Relay (1.0) Calculated Property | |
| ΔfG° | -519.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1049.15 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.506 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1181.71 | kPa | Joback Calculated Property |
| Inp | [1886.00; 1886.00] |
|
|
| Inp | 1886.00 | NIST | |
| Inp | 1886.00 | NIST | |
| Tboil | 567.65 | K | Relay (1.0) Calculated Property |
| Tc | 758.07 | K | Relay (1.0) Calculated Property |
| Tfus | 244.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.068 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [835.63; 929.40] | J/mol×K | [724.21; 903.26] |
|
| Cp,gas | 835.63 | J/mol×K | 724.21 | Joback Calculated Property |
| Cp,gas | 853.75 | J/mol×K | 754.05 | Joback Calculated Property |
| Cp,gas | 870.84 | J/mol×K | 783.89 | Joback Calculated Property |
| Cp,gas | 886.92 | J/mol×K | 813.73 | Joback Calculated Property |
| Cp,gas | 902.03 | J/mol×K | 843.58 | Joback Calculated Property |
| Cp,gas | 916.18 | J/mol×K | 873.42 | Joback Calculated Property |
| Cp,gas | 929.40 | J/mol×K | 903.26 | Joback Calculated Property |
| η | [0.0000434; 0.0028057] | Pa×s | [364.70; 724.21] |
|
| η | 0.0028057 | Pa×s | 364.70 | Joback Calculated Property |
| η | 0.0008577 | Pa×s | 424.62 | Joback Calculated Property |
| η | 0.0003515 | Pa×s | 484.54 | Joback Calculated Property |
| η | 0.0001753 | Pa×s | 544.46 | Joback Calculated Property |
| η | 0.0001003 | Pa×s | 604.37 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 664.29 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 724.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptyl isohexyl ester.
Sources
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