- InChI
- InChI=1S/C29H56O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-32-28(30)22-19-20-23-29(31)33-26-24-27(2)3/h27H,4-26H2,1-3H3
- InChI Key
- VRNNYSINFXROKB-UHFFFAOYSA-N
- Formula
- C29H56O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCCC(
=O)OCCC(C)C - Molecular Weight1
- 468.75
- 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 | 1.3286 | Relay (1.0) Calculated Property | |
| ΔfG° | -429.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1257.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.941 | Crippen Calculated Property | |
| McVol | 434.350 | ml/mol | McGowan Calculated Property |
| Pc | 630.03 | kPa | Joback Calculated Property |
| Inp | [3206.00; 3206.00] |
|
|
| Inp | 3206.00 | NIST | |
| Inp | 3206.00 | NIST | |
| Tboil | 672.58 | K | Relay (1.0) Calculated Property |
| Tc | 844.06 | K | Relay (1.0) Calculated Property |
| Tfus | 295.63 | K | Relay (1.0) Calculated Property |
| Vc | 1.685 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [653.04; 1532.22] | 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 | 2.56630e+01 | |||
| Coefficient B | 2.65516e+00 | |||
| Coefficient C | -1.36780e-03 | |||
| Coefficient D | 2.19200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 653.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 803.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 939.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1060.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1168.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1264.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1347.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1419.52 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1480.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1532.22 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005025; 0.0000167] | Pa×s | [486.25; 851.05] |
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 | -1.55309e+01 | |||
| Coefficient B | 3.85834e+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. | 486.25 | |||
| Temperature range, max. | 851.05 | |||
| η | 0.0005025 | Pa×s | 486.25 | Calculated Property |
| η | 0.0002729 | Pa×s | 526.78 | Calculated Property |
| η | 0.0001617 | Pa×s | 567.32 | Calculated Property |
| η | 0.0001027 | Pa×s | 607.85 | Calculated Property |
| η | 0.0000691 | Pa×s | 648.38 | Calculated Property |
| η | 0.0000487 | Pa×s | 688.92 | Calculated Property |
| η | 0.0000357 | Pa×s | 729.45 | Calculated Property |
| η | 0.0000270 | Pa×s | 769.99 | Calculated Property |
| η | 0.0000210 | Pa×s | 810.52 | Calculated Property |
| η | 0.0000167 | Pa×s | 851.05 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 3-methylbutyl octadecyl ester.
Sources
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