- InChI
- InChI=1S/C25H48O4/c1-4-7-8-9-10-11-12-13-14-15-16-22-28-24(26)20-17-21-25(27)29-23(18-5-2)19-6-3/h23H,4-22H2,1-3H3
- InChI Key
- VHPKVXDFIIBTDL-UHFFFAOYSA-N
- Formula
- C25H48O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCC(=O)OC(
CCC)CCC - Molecular Weight1
- 412.65
- 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 | 1.1744 | Relay (1.0) Calculated Property | |
| ΔfG° | -310.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1173.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.523 | Crippen Calculated Property | |
| McVol | 377.990 | ml/mol | McGowan Calculated Property |
| Pc | 807.99 | kPa | Joback Calculated Property |
| Inp | [2772.00; 2772.00] |
|
|
| Inp | 2772.00 | NIST | |
| Inp | 2772.00 | NIST | |
| Tboil | 643.34 | K | Relay (1.0) Calculated Property |
| Tc | 815.71 | K | Relay (1.0) Calculated Property |
| Tfus | 271.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.447 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1281.56; 1383.23] | J/mol×K | [923.54; 1133.47] |
|
| Cp,gas | 1281.56 | J/mol×K | 923.54 | Joback Calculated Property |
| Cp,gas | 1302.20 | J/mol×K | 958.53 | Joback Calculated Property |
| Cp,gas | 1321.30 | J/mol×K | 993.52 | Joback Calculated Property |
| Cp,gas | 1338.92 | J/mol×K | 1028.50 | Joback Calculated Property |
| Cp,gas | 1355.09 | J/mol×K | 1063.49 | Joback Calculated Property |
| Cp,gas | 1369.84 | J/mol×K | 1098.48 | Joback Calculated Property |
| Cp,gas | 1383.23 | J/mol×K | 1133.47 | Joback Calculated Property |
| η | [0.0000230; 0.0005334] | Pa×s | [500.83; 923.54] |
|
| η | 0.0005334 | Pa×s | 500.83 | Joback Calculated Property |
| η | 0.0002287 | Pa×s | 571.28 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 641.73 | Joback Calculated Property |
| η | 0.0000695 | Pa×s | 712.18 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 782.64 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 853.09 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 923.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 4-heptyl tridecyl ester.
Sources
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