- InChI
- InChI=1S/C16H22O4/c1-4-5-9-12-19-14(17)16(2,3)15(18)20-13-10-7-6-8-11-13/h6-8,10-11H,4-5,9,12H2,1-3H3
- InChI Key
- XWVPCTNKPBVNHQ-UHFFFAOYSA-N
- Formula
- C16H22O4
- SMILES
-
CCCCCOC(=O)C(C)(C)C(=O)Oc1cccc
c1 - Molecular Weight1
- 278.34
- 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° | -268.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -635.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 3.352 | Crippen Calculated Property | |
| McVol | 227.420 | ml/mol | McGowan Calculated Property |
| Pc | 1870.79 | kPa | Joback Calculated Property |
| Inp | [1816.00; 1816.00] |
|
|
| Inp | 1816.00 | NIST | |
| Inp | 1816.00 | NIST | |
| Tboil | 741.51 | K | Joback Calculated Property |
| Tc | 951.19 | K | Joback Calculated Property |
| Tfus | 443.24 | K | Joback Calculated Property |
| Vc | 0.861 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [651.40; 729.50] | J/mol×K | [741.51; 951.19] |
|
| Cp,gas | 651.40 | J/mol×K | 741.51 | Joback Calculated Property |
| Cp,gas | 667.00 | J/mol×K | 776.46 | Joback Calculated Property |
| Cp,gas | 681.51 | J/mol×K | 811.40 | Joback Calculated Property |
| Cp,gas | 694.98 | J/mol×K | 846.35 | Joback Calculated Property |
| Cp,gas | 707.44 | J/mol×K | 881.30 | Joback Calculated Property |
| Cp,gas | 718.93 | J/mol×K | 916.25 | Joback Calculated Property |
| Cp,gas | 729.50 | J/mol×K | 951.19 | Joback Calculated Property |
| η | [0.0000767; 0.0009978] | Pa×s | [443.24; 741.51] |
|
| η | 0.0009978 | Pa×s | 443.24 | Joback Calculated Property |
| η | 0.0005244 | Pa×s | 492.95 | Joback Calculated Property |
| η | 0.0003101 | Pa×s | 542.66 | Joback Calculated Property |
| η | 0.0002003 | Pa×s | 592.38 | Joback Calculated Property |
| η | 0.0001384 | Pa×s | 642.09 | Joback Calculated Property |
| η | 0.0001008 | Pa×s | 691.80 | Joback Calculated Property |
| η | 0.0000767 | Pa×s | 741.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, pentyl phenyl ester.
Sources
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