- InChI
- InChI=1S/C21H30O5/c1-5-8-9-10-15-25-19(23)21(6-2,7-3)20(24)26-18-13-11-17(12-14-18)16(4)22/h11-14H,5-10,15H2,1-4H3
- InChI Key
- LWZUGQASLKTELZ-UHFFFAOYSA-N
- Formula
- C21H30O5
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c
cc(C(C)=O)cc1 - Molecular Weight1
- 362.46
- 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° | -365.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -862.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.04 | kJ/mol | Joback Calculated Property |
| log10WS | -5.67 | Crippen Calculated Property | |
| logPoct/wat | 4.724 | Crippen Calculated Property | |
| McVol | 299.440 | ml/mol | McGowan Calculated Property |
| Pc | 1328.10 | kPa | Joback Calculated Property |
| Inp | 2515.00 | NIST | |
| Tboil | 914.76 | K | Joback Calculated Property |
| Tc | 1128.35 | K | Joback Calculated Property |
| Tfus | 562.04 | K | Joback Calculated Property |
| Vc | 1.147 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [953.77; 1024.06] | J/mol×K | [914.76; 1128.35] | 
|
| Cp,gas | 953.77 | J/mol×K | 914.76 | Joback Calculated Property |
| Cp,gas | 968.36 | J/mol×K | 950.36 | Joback Calculated Property |
| Cp,gas | 981.74 | J/mol×K | 985.96 | Joback Calculated Property |
| Cp,gas | 993.95 | J/mol×K | 1021.55 | Joback Calculated Property |
| Cp,gas | 1005.05 | J/mol×K | 1057.15 | Joback Calculated Property |
| Cp,gas | 1015.07 | J/mol×K | 1092.75 | Joback Calculated Property |
| Cp,gas | 1024.06 | J/mol×K | 1128.35 | Joback Calculated Property |
| η | [0.0000351; 0.0003852] | Pa×s | [562.04; 914.76] |
|
| η | 0.0003852 | Pa×s | 562.04 | Joback Calculated Property |
| η | 0.0002138 | Pa×s | 620.83 | Joback Calculated Property |
| η | 0.0001314 | Pa×s | 679.61 | Joback Calculated Property |
| η | 0.0000873 | Pa×s | 738.40 | Joback Calculated Property |
| η | 0.0000616 | Pa×s | 797.19 | Joback Calculated Property |
| η | 0.0000456 | Pa×s | 855.97 | Joback Calculated Property |
| η | 0.0000351 | Pa×s | 914.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-acetylphenyl hexyl ester.
Sources
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