- InChI
- InChI=1S/C28H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-18-23-31-26(29)28(2,3)27(30)32-24-19-22-25-20-16-15-17-21-25/h15-17,20-21H,4-14,18-19,22-24H2,1-3H3
- InChI Key
- XICPFQPMKUBHFJ-UHFFFAOYSA-N
- Formula
- C28H46O4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(C)(C)C(=
O)OCCCc1ccccc1 - Molecular Weight1
- 446.67
- 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 | 1.1622 | Relay (1.0) Calculated Property | |
| ΔfG° | -320.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -989.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.433 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 795.28 | kPa | Joback Calculated Property |
| Inp | [3036.00; 3036.00] |
|
|
| Inp | 3036.00 | NIST | |
| Inp | 3036.00 | NIST | |
| Tboil | 677.17 | K | Relay (1.0) Calculated Property |
| Tc | 886.01 | K | Relay (1.0) Calculated Property |
| Tfus | 289.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.500 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [573.43; 1363.04] | 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 | -3.01240e+01 | |||
| Coefficient B | 2.60116e+00 | |||
| Coefficient C | -1.51320e-03 | |||
| Coefficient D | 3.05200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 573.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 714.23 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 839.52 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 950.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1047.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1131.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1204.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1266.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1319.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1363.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003513; 0.0000184] | Pa×s | [518.82; 840.40] |
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 | -1.56642e+01 | |||
| Coefficient B | 4.00032e+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. | 518.82 | |||
| Temperature range, max. | 840.40 | |||
| η | 0.0003513 | Pa×s | 518.82 | Calculated Property |
| η | 0.0002138 | Pa×s | 554.55 | Calculated Property |
| η | 0.0001381 | Pa×s | 590.28 | Calculated Property |
| η | 0.0000938 | Pa×s | 626.01 | Calculated Property |
| η | 0.0000665 | Pa×s | 661.74 | Calculated Property |
| η | 0.0000488 | Pa×s | 697.47 | Calculated Property |
| η | 0.0000369 | Pa×s | 733.20 | Calculated Property |
| η | 0.0000286 | Pa×s | 768.93 | Calculated Property |
| η | 0.0000227 | Pa×s | 804.67 | Calculated Property |
| η | 0.0000184 | Pa×s | 840.40 | Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 3-phenylpropyl tetradecyl ester.
Sources
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