- InChI
- InChI=1S/C32H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-27-35-30(33)32(2,3)31(34)36-28-23-26-29-24-20-19-21-25-29/h19-21,24-25H,4-18,22-23,26-28H2,1-3H3
- InChI Key
- RTQUSFKTROWEEG-UHFFFAOYSA-N
- Formula
- C32H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(C)(C
)C(=O)OCCCc1ccccc1 - Molecular Weight1
- 502.78
- 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 | 1.3049 | Relay (1.0) Calculated Property | |
| ΔfG° | -286.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1071.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.993 | Crippen Calculated Property | |
| McVol | 452.860 | ml/mol | McGowan Calculated Property |
| Pc | 647.46 | kPa | Joback Calculated Property |
| Inp | [3452.00; 3452.00] |
|
|
| Inp | 3452.00 | NIST | |
| Inp | 3452.00 | NIST | |
| Tboil | 703.30 | K | Relay (1.0) Calculated Property |
| Tc | 911.53 | K | Relay (1.0) Calculated Property |
| Tfus | 298.19 | K | Relay (1.0) Calculated Property |
| Vc | 1.718 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [658.28; 1569.40] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.37600e+01 | |||
| Coefficient B | 2.98116e+00 | |||
| Coefficient C | -1.73080e-03 | |||
| Coefficient D | 3.52800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 658.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 819.90 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 963.83 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1091.17 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1203.04 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1300.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1384.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1456.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1518.14 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1569.40 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001878; 0.0000089] | Pa×s | [563.90; 928.88] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.63418e+01 | |||
| Coefficient B | 4.37696e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 563.90 | |||
| Temperature range, max. | 928.88 | |||
| η | 0.0001878 | Pa×s | 563.90 | Calculated Property |
| η | 0.0001116 | Pa×s | 604.45 | Calculated Property |
| η | 0.0000708 | Pa×s | 645.01 | Calculated Property |
| η | 0.0000474 | Pa×s | 685.56 | Calculated Property |
| η | 0.0000332 | Pa×s | 726.11 | Calculated Property |
| η | 0.0000241 | Pa×s | 766.67 | Calculated Property |
| η | 0.0000181 | Pa×s | 807.22 | Calculated Property |
| η | 0.0000140 | Pa×s | 847.77 | Calculated Property |
| η | 0.0000110 | Pa×s | 888.33 | Calculated Property |
| η | 0.0000089 | Pa×s | 928.88 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, octadecyl 3-phenylpropyl ester.
Sources
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