- InChI
- InChI=1S/C18H34O5/c1-7-18(8-2,17(20)23-13-14(3)4)16(19)22-12-10-15(5)9-11-21-6/h14-15H,7-13H2,1-6H3
- InChI Key
- YYOBIYGUNGANTN-UHFFFAOYSA-N
- Formula
- C18H34O5
- SMILES
-
CCC(CC)(C(=O)OCCC(C)CCOC)C(=O)
OCC(C)C - Molecular Weight1
- 330.46
- 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° | -474.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1055.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.31 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 3.598 | Crippen Calculated Property | |
| McVol | 285.230 | ml/mol | McGowan Calculated Property |
| Pc | 1243.33 | kPa | Joback Calculated Property |
| Inp | 1897.00 | NIST | |
| Tboil | 782.13 | K | Joback Calculated Property |
| Tc | 969.34 | K | Joback Calculated Property |
| Tfus | 431.59 | K | Joback Calculated Property |
| Vc | 1.087 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [882.81; 972.74] | J/mol×K | [782.13; 969.34] | 
|
| Cp,gas | 882.81 | J/mol×K | 782.13 | Joback Calculated Property |
| Cp,gas | 900.38 | J/mol×K | 813.33 | Joback Calculated Property |
| Cp,gas | 916.89 | J/mol×K | 844.53 | Joback Calculated Property |
| Cp,gas | 932.36 | J/mol×K | 875.74 | Joback Calculated Property |
| Cp,gas | 946.82 | J/mol×K | 906.94 | Joback Calculated Property |
| Cp,gas | 960.27 | J/mol×K | 938.14 | Joback Calculated Property |
| Cp,gas | 972.74 | J/mol×K | 969.34 | Joback Calculated Property |
| η | [0.0000365; 0.0009908] | Pa×s | [431.59; 782.13] |
|
| η | 0.0009908 | Pa×s | 431.59 | Joback Calculated Property |
| η | 0.0004116 | Pa×s | 490.01 | Joback Calculated Property |
| η | 0.0002061 | Pa×s | 548.44 | Joback Calculated Property |
| η | 0.0001180 | Pa×s | 606.86 | Joback Calculated Property |
| η | 0.0000745 | Pa×s | 665.28 | Joback Calculated Property |
| η | 0.0000506 | Pa×s | 723.71 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 782.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, isobutyl 5-methoxy-3-methylpentyl ester.
Sources
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