- InChI
- InChI=1S/C14H26O4/c1-5-6-7-8-12(4)18-14(16)9-13(15)17-10-11(2)3/h11-12H,5-10H2,1-4H3
- InChI Key
- JZNNYJDLUFLJJR-UHFFFAOYSA-N
- Formula
- C14H26O4
- SMILES
- CCCCCC(C)OC(=O)CC(=O)OCC(C)C
- Molecular Weight1
- 258.35
- 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 | 0.7517 | Relay (1.0) Calculated Property | |
| ΔfG° | -405.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -999.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.088 | Crippen Calculated Property | |
| McVol | 223.000 | ml/mol | McGowan Calculated Property |
| Pc | 1660.55 | kPa | Joback Calculated Property |
| Inp | [1595.00; 1595.00] |
|
|
| Inp | 1595.00 | NIST | |
| Inp | 1595.00 | NIST | |
| Tboil | 535.52 | K | Relay (1.0) Calculated Property |
| Tc | 710.48 | K | Relay (1.0) Calculated Property |
| Tfus | 208.62 | K | Relay (1.0) Calculated Property |
| Vc | 0.846 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [623.10; 708.34] | J/mol×K | [671.42; 852.27] |
|
| Cp,gas | 623.10 | J/mol×K | 671.42 | Joback Calculated Property |
| Cp,gas | 639.24 | J/mol×K | 701.56 | Joback Calculated Property |
| Cp,gas | 654.60 | J/mol×K | 731.70 | Joback Calculated Property |
| Cp,gas | 669.19 | J/mol×K | 761.84 | Joback Calculated Property |
| Cp,gas | 683.00 | J/mol×K | 791.99 | Joback Calculated Property |
| Cp,gas | 696.05 | J/mol×K | 822.13 | Joback Calculated Property |
| Cp,gas | 708.34 | J/mol×K | 852.27 | Joback Calculated Property |
| η | [0.0001031; 0.0023105] | Pa×s | [361.86; 671.42] |
|
| η | 0.0023105 | Pa×s | 361.86 | Joback Calculated Property |
| η | 0.0009958 | Pa×s | 413.45 | Joback Calculated Property |
| η | 0.0005173 | Pa×s | 465.05 | Joback Calculated Property |
| η | 0.0003062 | Pa×s | 516.64 | Joback Calculated Property |
| η | 0.0001994 | Pa×s | 568.23 | Joback Calculated Property |
| η | 0.0001395 | Pa×s | 619.83 | Joback Calculated Property |
| η | 0.0001031 | Pa×s | 671.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, 2-heptyl isobutyl ester.
Sources
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