- InChI
- InChI=1S/C18H32O4/c1-13(2)7-6-12-21-16(19)18(4,5)17(20)22-15-10-8-14(3)9-11-15/h13-15H,6-12H2,1-5H3
- InChI Key
- GKABQZJQDGTTPN-UHFFFAOYSA-N
- Formula
- C18H32O4
- SMILES
-
CC(C)CCCOC(=O)C(C)(C)C(=O)OC1C
CC(C)CC1 - Molecular Weight1
- 312.44
- 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° | -350.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -884.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.41 | kJ/mol | Joback Calculated Property |
| log10WS | -4.36 | Crippen Calculated Property | |
| logPoct/wat | 4.114 | Crippen Calculated Property | |
| McVol | 268.500 | ml/mol | McGowan Calculated Property |
| Pc | 1418.64 | kPa | Joback Calculated Property |
| Inp | [1957.00; 1957.00] |
|
|
| Inp | 1957.00 | NIST | |
| Inp | 1957.00 | NIST | |
| Tboil | 775.03 | K | Joback Calculated Property |
| Tc | 978.85 | K | Joback Calculated Property |
| Tfus | 427.50 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [850.63; 949.11] | J/mol×K | [775.03; 978.85] |
|
| Cp,gas | 850.63 | J/mol×K | 775.03 | Joback Calculated Property |
| Cp,gas | 870.32 | J/mol×K | 809.00 | Joback Calculated Property |
| Cp,gas | 888.66 | J/mol×K | 842.97 | Joback Calculated Property |
| Cp,gas | 905.68 | J/mol×K | 876.94 | Joback Calculated Property |
| Cp,gas | 921.41 | J/mol×K | 910.91 | Joback Calculated Property |
| Cp,gas | 935.87 | J/mol×K | 944.88 | Joback Calculated Property |
| Cp,gas | 949.11 | J/mol×K | 978.85 | Joback Calculated Property |
| η | [0.0000691; 0.0014425] | Pa×s | [427.50; 775.03] |
|
| η | 0.0014425 | Pa×s | 427.50 | Joback Calculated Property |
| η | 0.0006426 | Pa×s | 485.42 | Joback Calculated Property |
| η | 0.0003402 | Pa×s | 543.34 | Joback Calculated Property |
| η | 0.0002035 | Pa×s | 601.26 | Joback Calculated Property |
| η | 0.0001333 | Pa×s | 659.19 | Joback Calculated Property |
| η | 0.0000935 | Pa×s | 717.11 | Joback Calculated Property |
| η | 0.0000691 | Pa×s | 775.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, isohexyl trans-4-methylcyclohexyl ester.
Sources
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