- InChI
- InChI=1S/C28H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-31-27(29)21-20-22-28(30)32-25-23-26(2)3/h26H,4-25H2,1-3H3
- InChI Key
- CTRROCDJCZKECW-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCC(=
O)OCCC(C)C - Molecular Weight1
- 454.73
- 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 | 1.2905 | Relay (1.0) Calculated Property | |
| ΔfG° | -438.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1237.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.551 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 661.53 | kPa | Joback Calculated Property |
| Inp | [3181.00; 3203.00] |
|
|
| Inp | 3181.00 | NIST | |
| Inp | 3203.00 | NIST | |
| Tboil | 670.04 | K | Relay (1.0) Calculated Property |
| Tc | 840.13 | K | Relay (1.0) Calculated Property |
| Tfus | 296.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.630 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1454.99; 1560.02] | J/mol×K | [956.24; 1181.96] |
|
| Cp,gas | 1454.99 | J/mol×K | 956.24 | Joback Calculated Property |
| Cp,gas | 1477.20 | J/mol×K | 993.86 | Joback Calculated Property |
| Cp,gas | 1497.43 | J/mol×K | 1031.48 | Joback Calculated Property |
| Cp,gas | 1515.77 | J/mol×K | 1069.10 | Joback Calculated Property |
| Cp,gas | 1532.27 | J/mol×K | 1106.72 | Joback Calculated Property |
| Cp,gas | 1547.00 | J/mol×K | 1144.34 | Joback Calculated Property |
| Cp,gas | 1560.02 | J/mol×K | 1181.96 | Joback Calculated Property |
| η | [0.0000109; 0.0005888] | Pa×s | [474.98; 956.24] |
|
| η | 0.0005888 | Pa×s | 474.98 | Joback Calculated Property |
| η | 0.0001874 | Pa×s | 555.19 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 635.40 | Joback Calculated Property |
| η | 0.0000410 | Pa×s | 715.61 | Joback Calculated Property |
| η | 0.0000241 | Pa×s | 795.82 | Joback Calculated Property |
| η | 0.0000156 | Pa×s | 876.03 | Joback Calculated Property |
| η | 0.0000109 | Pa×s | 956.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbutyl octadecyl ester.
Sources
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