- InChI
- InChI=1S/C28H54O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-31-27(29)21-18-19-22-28(30)32-25-23-26(2)3/h26H,4-25H2,1-3H3
- InChI Key
- OUKXIFWEQJCHME-UHFFFAOYSA-N
- Formula
- C28H54O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCCC(=
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 | 1.2934 | Relay (1.0) Calculated Property | |
| ΔfG° | -285.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1237.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.71 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.72 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.551 | Crippen Calculated Property | |
| McVol | 420.260 | ml/mol | McGowan Calculated Property |
| Pc | 690.34 | kPa | Joback Calculated Property |
| Inp | [3103.00; 3103.00] |
|
|
| Inp | 3103.00 | NIST | |
| Inp | 3103.00 | NIST | |
| Tboil | 666.10 | K | Relay (1.0) Calculated Property |
| Tc | 834.35 | K | Relay (1.0) Calculated Property |
| Tfus | 295.99 | K | Relay (1.0) Calculated Property |
| Vc | 1.629 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1474.86; 1580.84] | J/mol×K | [992.18; 1230.25] |
|
| Cp,gas | 1474.86 | J/mol×K | 992.18 | Joback Calculated Property |
| Cp,gas | 1497.34 | J/mol×K | 1031.86 | Joback Calculated Property |
| Cp,gas | 1517.80 | J/mol×K | 1071.54 | Joback Calculated Property |
| Cp,gas | 1536.31 | J/mol×K | 1111.22 | Joback Calculated Property |
| Cp,gas | 1552.94 | J/mol×K | 1150.90 | Joback Calculated Property |
| Cp,gas | 1567.75 | J/mol×K | 1190.58 | Joback Calculated Property |
| Cp,gas | 1580.84 | J/mol×K | 1230.25 | Joback Calculated Property |
| η | [0.0000144; 0.0003555] | Pa×s | [534.64; 992.18] |
|
| η | 0.0003555 | Pa×s | 534.64 | Joback Calculated Property |
| η | 0.0001491 | Pa×s | 610.90 | Joback Calculated Property |
| η | 0.0000759 | Pa×s | 687.15 | Joback Calculated Property |
| η | 0.0000442 | Pa×s | 763.41 | Joback Calculated Property |
| η | 0.0000284 | Pa×s | 839.67 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 915.92 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 992.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, heptadecyl 3-methylbutyl ester.
Sources
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