- InChI
- InChI=1S/C31H52O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-34-29(32)31(4,5)30(33)36-28-24-21-20-23-27(28)35-26(2)3/h20-21,23-24,26H,6-19,22,25H2,1-5H3
- InChI Key
- VGXOFRSHXRJYRL-UHFFFAOYSA-N
- Formula
- C31H52O5
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)
C(=O)Oc1ccccc1OC(C)C - Molecular Weight1
- 504.74
- 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° | -259.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1093.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.58 | kJ/mol | Joback Calculated Property |
| log10WS | -9.85 | Crippen Calculated Property | |
| logPoct/wat | 8.820 | Crippen Calculated Property | |
| McVol | 444.640 | ml/mol | McGowan Calculated Property |
| Pc | 701.35 | kPa | Joback Calculated Property |
| Inp | [3276.00; 3276.00] |
|
|
| Inp | 3276.00 | NIST | |
| Inp | 3276.00 | NIST | |
| Tboil | 1111.67 | K | Joback Calculated Property |
| Tc | 1378.31 | K | Joback Calculated Property |
| Tfus | 632.04 | K | Joback Calculated Property |
| Vc | 1.712 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1588.64; 1665.04] | J/mol×K | [1111.67; 1378.31] |
|
| Cp,gas | 1588.64 | J/mol×K | 1111.67 | Joback Calculated Property |
| Cp,gas | 1606.61 | J/mol×K | 1156.11 | Joback Calculated Property |
| Cp,gas | 1622.30 | J/mol×K | 1200.55 | Joback Calculated Property |
| Cp,gas | 1635.87 | J/mol×K | 1244.99 | Joback Calculated Property |
| Cp,gas | 1647.42 | J/mol×K | 1289.43 | Joback Calculated Property |
| Cp,gas | 1657.10 | J/mol×K | 1333.87 | Joback Calculated Property |
| Cp,gas | 1665.04 | J/mol×K | 1378.31 | Joback Calculated Property |
| η | [0.0000051; 0.0000986] | Pa×s | [632.04; 1111.67] |
|
| η | 0.0000986 | Pa×s | 632.04 | Joback Calculated Property |
| η | 0.0000455 | Pa×s | 711.98 | Joback Calculated Property |
| η | 0.0000246 | Pa×s | 791.92 | Joback Calculated Property |
| η | 0.0000149 | Pa×s | 871.86 | Joback Calculated Property |
| η | 0.0000098 | Pa×s | 951.79 | Joback Calculated Property |
| η | 0.0000069 | Pa×s | 1031.73 | Joback Calculated Property |
| η | 0.0000051 | Pa×s | 1111.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptadecyl 2-isopropoxyphenyl ester.
Sources
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