- InChI
- InChI=1S/C30H58O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-34-30(32)27-24-21-18-17-20-23-26-29(31)33-4-2/h3-28H2,1-2H3
- InChI Key
- OMPAWSLNGWOZAS-UHFFFAOYSA-N
- Formula
- C30H58O4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC
CCC(=O)OCC - 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 | 1.3884 | Relay (1.0) Calculated Property | |
| ΔfG° | -419.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1272.68 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 82.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.475 | Crippen Calculated Property | |
| McVol | 448.440 | ml/mol | McGowan Calculated Property |
| Pc | 598.38 | kPa | Joback Calculated Property |
| Inp | [3395.00; 3395.00] |
|
|
| Inp | 3395.00 | NIST | |
| Inp | 3395.00 | NIST | |
| Tboil | 674.60 | K | Relay (1.0) Calculated Property |
| Tc | 851.00 | K | Relay (1.0) Calculated Property |
| Tfus | 316.09 | K | Relay (1.0) Calculated Property |
| Vc | 1.757 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [674.57; 1583.28] | 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 | 2.64360e+01 | |||
| Coefficient B | 2.74424e+00 | |||
| Coefficient C | -1.41900e-03 | |||
| Coefficient D | 2.31600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 674.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 829.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 970.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1095.49 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1207.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1305.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1391.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1466.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1529.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1583.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003604; 0.0000150] | Pa×s | [512.52; 878.19] |
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 | -1.55664e+01 | |||
| Coefficient B | 3.91468e+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. | 512.52 | |||
| Temperature range, max. | 878.19 | |||
| η | 0.0003604 | Pa×s | 512.52 | Calculated Property |
| η | 0.0002056 | Pa×s | 553.15 | Calculated Property |
| η | 0.0001267 | Pa×s | 593.78 | Calculated Property |
| η | 0.0000831 | Pa×s | 634.41 | Calculated Property |
| η | 0.0000573 | Pa×s | 675.04 | Calculated Property |
| η | 0.0000412 | Pa×s | 715.67 | Calculated Property |
| η | 0.0000307 | Pa×s | 756.30 | Calculated Property |
| η | 0.0000236 | Pa×s | 796.93 | Calculated Property |
| η | 0.0000186 | Pa×s | 837.56 | Calculated Property |
| η | 0.0000150 | Pa×s | 878.19 | Calculated Property |
Similar Compounds
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Sources
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