- InChI
- InChI=1S/C30H58O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-33-29(31)23-20-21-24-30(32)34-27-25-28(2)3/h28H,4-27H2,1-3H3
- InChI Key
- KYCPAUQFWFCNDH-UHFFFAOYSA-N
- Formula
- C30H58O4
- SMILES
-
CCCCCCCCCCCCCCCCCCCOC(=O)CCCCC
(=O)OCCC(C)C - Molecular Weight1
- 482.78
- 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 | 1.3638 | Relay (1.0) Calculated Property | |
| ΔfG° | -421.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1277.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 78.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.331 | Crippen Calculated Property | |
| McVol | 448.440 | ml/mol | McGowan Calculated Property |
| Pc | 600.73 | kPa | Joback Calculated Property |
| Inp | 3303.00 | NIST | |
| Tboil | 678.99 | K | Relay (1.0) Calculated Property |
| Tc | 850.36 | K | Relay (1.0) Calculated Property |
| Tfus | 298.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.740 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1585.01; 1691.92] | J/mol×K | [1002.00; 1251.05] | 
|
| Cp,gas | 1585.01 | J/mol×K | 1002.00 | Joback Calculated Property |
| Cp,gas | 1608.52 | J/mol×K | 1043.51 | Joback Calculated Property |
| Cp,gas | 1629.62 | J/mol×K | 1085.02 | Joback Calculated Property |
| Cp,gas | 1648.41 | J/mol×K | 1126.52 | Joback Calculated Property |
| Cp,gas | 1664.99 | J/mol×K | 1168.03 | Joback Calculated Property |
| Cp,gas | 1679.46 | J/mol×K | 1209.54 | Joback Calculated Property |
| Cp,gas | 1691.92 | J/mol×K | 1251.05 | Joback Calculated Property |
| η | [0.0000078; 0.0004282] | Pa×s | [497.52; 1002.00] |
|
| η | 0.0004282 | Pa×s | 497.52 | Joback Calculated Property |
| η | 0.0001358 | Pa×s | 581.60 | Joback Calculated Property |
| η | 0.0000575 | Pa×s | 665.68 | Joback Calculated Property |
| η | 0.0000296 | Pa×s | 749.76 | Joback Calculated Property |
| η | 0.0000174 | Pa×s | 833.84 | Joback Calculated Property |
| η | 0.0000113 | Pa×s | 917.92 | Joback Calculated Property |
| η | 0.0000078 | Pa×s | 1002.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3-methylbutyl nonadecyl ester.
Sources
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