- InChI
- InChI=1S/C17H32O4/c1-6-7-8-9-10-11-12-20-15(18)13-16(19)21-14(2)17(3,4)5/h14H,6-13H2,1-5H3
- InChI Key
- KALCVDRZVUPMPT-UHFFFAOYSA-N
- Formula
- C17H32O4
- SMILES
-
CCCCCCCCOC(=O)CC(=O)OC(C)C(C)(
C)C - Molecular Weight1
- 300.43
- 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 | 0.8246 | Relay (1.0) Calculated Property | |
| ΔfG° | -375.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1045.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.258 | Crippen Calculated Property | |
| McVol | 265.270 | ml/mol | McGowan Calculated Property |
| Pc | 1340.78 | kPa | Joback Calculated Property |
| Inp | [1883.00; 1883.00] |
|
|
| Inp | 1883.00 | NIST | |
| Inp | 1883.00 | NIST | |
| Tboil | 568.12 | K | Relay (1.0) Calculated Property |
| Tc | 751.25 | K | Relay (1.0) Calculated Property |
| Tfus | 245.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.988 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [793.34; 884.02] | J/mol×K | [737.27; 921.13] |
|
| Cp,gas | 793.34 | J/mol×K | 737.27 | Joback Calculated Property |
| Cp,gas | 810.75 | J/mol×K | 767.91 | Joback Calculated Property |
| Cp,gas | 827.21 | J/mol×K | 798.56 | Joback Calculated Property |
| Cp,gas | 842.74 | J/mol×K | 829.20 | Joback Calculated Property |
| Cp,gas | 857.37 | J/mol×K | 859.84 | Joback Calculated Property |
| Cp,gas | 871.12 | J/mol×K | 890.49 | Joback Calculated Property |
| Cp,gas | 884.02 | J/mol×K | 921.13 | Joback Calculated Property |
| η | [0.0000617; 0.0013901] | Pa×s | [413.09; 737.27] |
|
| η | 0.0013901 | Pa×s | 413.09 | Joback Calculated Property |
| η | 0.0006127 | Pa×s | 467.12 | Joback Calculated Property |
| η | 0.0003200 | Pa×s | 521.15 | Joback Calculated Property |
| η | 0.0001889 | Pa×s | 575.18 | Joback Calculated Property |
| η | 0.0001220 | Pa×s | 629.21 | Joback Calculated Property |
| η | 0.0000845 | Pa×s | 683.24 | Joback Calculated Property |
| η | 0.0000617 | Pa×s | 737.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 3,3-dimethylbut-2-yl octyl ester.
Sources
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