- InChI
- InChI=1S/C13H24O4/c1-4-6-8-16-12(14)10-13(15)17-9-7-11(3)5-2/h11H,4-10H2,1-3H3
- InChI Key
- XRUMCSJAFBLGRJ-UHFFFAOYSA-N
- Formula
- C13H24O4
- SMILES
- CCCCOC(=O)CC(=O)OCCC(C)CC
- Molecular Weight1
- 244.33
- 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 | 0.7433 | Relay (1.0) Calculated Property | |
| ΔfG° | -564.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -958.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.699 | Crippen Calculated Property | |
| McVol | 208.910 | ml/mol | McGowan Calculated Property |
| Pc | 1668.70 | kPa | Joback Calculated Property |
| Inp | 1592.00 | NIST | |
| Tboil | 543.81 | K | Relay (1.0) Calculated Property |
| Tc | 722.63 | K | Relay (1.0) Calculated Property |
| Tfus | 183.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.783 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [555.81; 639.66] | J/mol×K | [613.04; 787.30] | 
|
| Cp,gas | 555.81 | J/mol×K | 613.04 | Joback Calculated Property |
| Cp,gas | 571.63 | J/mol×K | 642.08 | Joback Calculated Property |
| Cp,gas | 586.71 | J/mol×K | 671.13 | Joback Calculated Property |
| Cp,gas | 601.05 | J/mol×K | 700.17 | Joback Calculated Property |
| Cp,gas | 614.65 | J/mol×K | 729.21 | Joback Calculated Property |
| Cp,gas | 627.52 | J/mol×K | 758.25 | Joback Calculated Property |
| Cp,gas | 639.66 | J/mol×K | 787.30 | Joback Calculated Property |
| η | [0.0001049; 0.0049362] | Pa×s | [305.93; 613.04] |
|
| η | 0.0049362 | Pa×s | 305.93 | Joback Calculated Property |
| η | 0.0016401 | Pa×s | 357.12 | Joback Calculated Property |
| η | 0.0007184 | Pa×s | 408.30 | Joback Calculated Property |
| η | 0.0003782 | Pa×s | 459.49 | Joback Calculated Property |
| η | 0.0002264 | Pa×s | 510.67 | Joback Calculated Property |
| η | 0.0001488 | Pa×s | 561.86 | Joback Calculated Property |
| η | 0.0001049 | Pa×s | 613.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Malonic acid, butyl 3-methylpentyl ester.
Sources
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