- InChI
- InChI=1S/C16H30O4/c1-12(2)9-8-10-19-13(17)16(6,7)14(18)20-11-15(3,4)5/h12H,8-11H2,1-7H3
- InChI Key
- JJFJHQHPSDVDJF-UHFFFAOYSA-N
- Formula
- C16H30O4
- SMILES
-
CC(C)CCCOC(=O)C(C)(C)C(=O)OCC(
C)(C)C - Molecular Weight1
- 286.41
- 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 | 0.7227 | Relay (1.0) Calculated Property | |
| ΔfG° | -380.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1039.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.581 | Crippen Calculated Property | |
| McVol | 251.180 | ml/mol | McGowan Calculated Property |
| Pc | 1461.25 | kPa | Joback Calculated Property |
| Inp | 1605.00 | NIST | |
| Tboil | 538.13 | K | Relay (1.0) Calculated Property |
| Tc | 726.54 | K | Relay (1.0) Calculated Property |
| Tfus | 288.44 | K | Relay (1.0) Calculated Property |
| Vc | 0.964 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [738.31; 828.88] | J/mol×K | [711.16; 902.13] | 
|
| Cp,gas | 738.31 | J/mol×K | 711.16 | Joback Calculated Property |
| Cp,gas | 755.81 | J/mol×K | 742.99 | Joback Calculated Property |
| Cp,gas | 772.30 | J/mol×K | 774.82 | Joback Calculated Property |
| Cp,gas | 787.81 | J/mol×K | 806.64 | Joback Calculated Property |
| Cp,gas | 802.39 | J/mol×K | 838.47 | Joback Calculated Property |
| Cp,gas | 816.07 | J/mol×K | 870.30 | Joback Calculated Property |
| Cp,gas | 828.88 | J/mol×K | 902.13 | Joback Calculated Property |
| η | [0.0000598; 0.0015901] | Pa×s | [404.24; 711.16] |
|
| η | 0.0015901 | Pa×s | 404.24 | Joback Calculated Property |
| η | 0.0006771 | Pa×s | 455.39 | Joback Calculated Property |
| η | 0.0003426 | Pa×s | 506.55 | Joback Calculated Property |
| η | 0.0001964 | Pa×s | 557.70 | Joback Calculated Property |
| η | 0.0001236 | Pa×s | 608.85 | Joback Calculated Property |
| η | 0.0000836 | Pa×s | 660.01 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 711.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl neopentyl ester.
Sources
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