- InChI
- InChI=1S/C29H48O4/c1-4-7-8-9-10-11-12-13-14-15-19-24-32-27(30)29(5-2,6-3)28(31)33-25-20-23-26-21-17-16-18-22-26/h16-18,21-22H,4-15,19-20,23-25H2,1-3H3
- InChI Key
- OXJDZKGPIKIVGR-UHFFFAOYSA-N
- Formula
- C29H48O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)OCCCc1ccccc1 - Molecular Weight1
- 460.69
- 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 | 1.1765 | Relay (1.0) Calculated Property | |
| ΔfG° | -312.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -982.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 66.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.823 | Crippen Calculated Property | |
| McVol | 410.590 | ml/mol | McGowan Calculated Property |
| Pc | 753.91 | kPa | Joback Calculated Property |
| Inp | [3112.00; 3112.00] |
|
|
| Inp | 3112.00 | NIST | |
| Inp | 3112.00 | NIST | |
| Tboil | 692.68 | K | Relay (1.0) Calculated Property |
| Tc | 898.15 | K | Relay (1.0) Calculated Property |
| Tfus | 296.05 | K | Relay (1.0) Calculated Property |
| Vc | 1.516 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.64; 1414.63] | 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 | -3.10330e+01 | |||
| Coefficient B | 2.69616e+00 | |||
| Coefficient C | -1.56760e-03 | |||
| Coefficient D | 3.17100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 594.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 740.65 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 870.60 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 985.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1086.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1174.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1249.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1314.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1369.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1414.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003011; 0.0000155] | Pa×s | [530.09; 861.20] |
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 | -1.58323e+01 | |||
| Coefficient B | 4.09448e+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. | 530.09 | |||
| Temperature range, max. | 861.20 | |||
| η | 0.0003011 | Pa×s | 530.09 | Calculated Property |
| η | 0.0001824 | Pa×s | 566.88 | Calculated Property |
| η | 0.0001174 | Pa×s | 603.67 | Calculated Property |
| η | 0.0000795 | Pa×s | 640.46 | Calculated Property |
| η | 0.0000562 | Pa×s | 677.25 | Calculated Property |
| η | 0.0000412 | Pa×s | 714.04 | Calculated Property |
| η | 0.0000311 | Pa×s | 750.83 | Calculated Property |
| η | 0.0000241 | Pa×s | 787.62 | Calculated Property |
| η | 0.0000191 | Pa×s | 824.41 | Calculated Property |
| η | 0.0000155 | Pa×s | 861.20 | Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3-phenylpropyl tridecyl ester.
Sources
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