- InChI
- InChI=1S/C18H34O4/c1-7-8-9-10-11-12-13-21-15(19)18(5,6)16(20)22-14-17(2,3)4/h7-14H2,1-6H3
- InChI Key
- XCGBELQNCMMJGF-UHFFFAOYSA-N
- Formula
- C18H34O4
- SMILES
-
CCCCCCCCOC(=O)C(C)(C)C(=O)OCC(
C)(C)C - Molecular Weight1
- 314.46
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -361.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -921.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.38 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 4.506 | Crippen Calculated Property | |
| McVol | 279.360 | ml/mol | McGowan Calculated Property |
| Pc | 1261.06 | kPa | Joback Calculated Property |
| Inp | [1838.00; 1838.00] |
|
|
| Inp | 1838.00 | NIST | |
| Inp | 1838.00 | NIST | |
| Tboil | 757.36 | K | Joback Calculated Property |
| Tc | 944.92 | K | Joback Calculated Property |
| Tfus | 441.78 | K | Joback Calculated Property |
| Vc | 1.069 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [852.64; 944.84] | J/mol×K | [757.36; 944.92] |
|
| Cp,gas | 852.64 | J/mol×K | 757.36 | Joback Calculated Property |
| Cp,gas | 870.42 | J/mol×K | 788.62 | Joback Calculated Property |
| Cp,gas | 887.18 | J/mol×K | 819.88 | Joback Calculated Property |
| Cp,gas | 902.97 | J/mol×K | 851.14 | Joback Calculated Property |
| Cp,gas | 917.81 | J/mol×K | 882.40 | Joback Calculated Property |
| Cp,gas | 931.76 | J/mol×K | 913.66 | Joback Calculated Property |
| Cp,gas | 944.84 | J/mol×K | 944.92 | Joback Calculated Property |
| η | [0.0000473; 0.0009881] | Pa×s | [441.78; 757.36] |
|
| η | 0.0009881 | Pa×s | 441.78 | Joback Calculated Property |
| η | 0.0004547 | Pa×s | 494.38 | Joback Calculated Property |
| η | 0.0002429 | Pa×s | 546.97 | Joback Calculated Property |
| η | 0.0001449 | Pa×s | 599.57 | Joback Calculated Property |
| η | 0.0000939 | Pa×s | 652.17 | Joback Calculated Property |
| η | 0.0000649 | Pa×s | 704.76 | Joback Calculated Property |
| η | 0.0000473 | Pa×s | 757.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, neopentyl octyl ester.
Sources
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