- 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° | -438.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1237.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.79 | 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 | 661.53 | 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 | 837.62 | K | Relay (1.0) Calculated Property |
| Tfus | 292.43 | K | Relay (1.0) Calculated Property |
| Vc | 1.630 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [631.83; 1480.63] | 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 | 2.65720e+01 | |||
| Coefficient B | 2.56016e+00 | |||
| Coefficient C | -1.31340e-03 | |||
| Coefficient D | 2.07300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 631.83 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 777.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 908.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1025.48 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1129.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1222.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1302.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1372.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1431.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1480.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005888; 0.0000201] | Pa×s | [474.98; 827.37] |
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 | -1.53623e+01 | |||
| Coefficient B | 3.76418e+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. | 474.98 | |||
| Temperature range, max. | 827.37 | |||
| η | 0.0005888 | Pa×s | 474.98 | Calculated Property |
| η | 0.0003220 | Pa×s | 514.13 | Calculated Property |
| η | 0.0001918 | Pa×s | 553.29 | Calculated Property |
| η | 0.0001223 | Pa×s | 592.44 | Calculated Property |
| η | 0.0000825 | Pa×s | 631.60 | Calculated Property |
| η | 0.0000583 | Pa×s | 670.75 | Calculated Property |
| η | 0.0000428 | Pa×s | 709.91 | Calculated Property |
| η | 0.0000324 | Pa×s | 749.06 | Calculated Property |
| η | 0.0000252 | Pa×s | 788.22 | Calculated Property |
| η | 0.0000201 | Pa×s | 827.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, heptadecyl 3-methylbutyl ester.
Sources
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