- InChI
- InChI=1S/C31H52O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-34-29(32)31(2,3)30(33)35-27-22-25-28-23-19-18-20-24-28/h18-20,23-24H,4-17,21-22,25-27H2,1-3H3
- InChI Key
- XVWYNLMXRBAEBY-UHFFFAOYSA-N
- Formula
- C31H52O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)(C)
C(=O)OCCCc1ccccc1 - Molecular Weight1
- 488.74
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.2694 | Relay (1.0) Calculated Property | |
| ΔfG° | -295.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1051.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.603 | Crippen Calculated Property | |
| McVol | 438.770 | ml/mol | McGowan Calculated Property |
| Pc | 680.29 | kPa | Joback Calculated Property |
| Inp | 3343.00 | NIST | |
| Tboil | 696.80 | K | Relay (1.0) Calculated Property |
| Tc | 905.48 | K | Relay (1.0) Calculated Property |
| Tfus | 296.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.664 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1543.41; 1633.29] | J/mol×K | [1048.77; 1293.40] | 
|
| Cp,gas | 1543.41 | J/mol×K | 1048.77 | Joback Calculated Property |
| Cp,gas | 1562.60 | J/mol×K | 1089.54 | Joback Calculated Property |
| Cp,gas | 1579.92 | J/mol×K | 1130.31 | Joback Calculated Property |
| Cp,gas | 1595.52 | J/mol×K | 1171.09 | Joback Calculated Property |
| Cp,gas | 1609.52 | J/mol×K | 1211.86 | Joback Calculated Property |
| Cp,gas | 1622.06 | J/mol×K | 1252.63 | Joback Calculated Property |
| Cp,gas | 1633.29 | J/mol×K | 1293.40 | Joback Calculated Property |
| η | [0.0000056; 0.0002201] | Pa×s | [552.63; 1048.77] |
|
| η | 0.0002201 | Pa×s | 552.63 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 635.32 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 718.01 | Joback Calculated Property |
| η | 0.0000199 | Pa×s | 800.70 | Joback Calculated Property |
| η | 0.0000121 | Pa×s | 883.39 | Joback Calculated Property |
| η | 0.0000080 | Pa×s | 966.08 | Joback Calculated Property |
| η | 0.0000056 | Pa×s | 1048.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, heptadecyl 3-phenylpropyl ester.
Sources
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