- InChI
- InChI=1S/C30H50O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-33-29(31)23-20-24-30(32)34-27-25-28-21-17-16-18-22-28/h16-18,21-22H,2-15,19-20,23-27H2,1H3
- InChI Key
- NUKQMRACJWVUMJ-UHFFFAOYSA-N
- Formula
- C30H50O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCC(=O
)OCCc1ccccc1 - Molecular Weight1
- 474.72
- 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 | 1.3235 | Relay (1.0) Calculated Property | |
| ΔfG° | -306.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1025.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 143.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.357 | Crippen Calculated Property | |
| McVol | 424.680 | ml/mol | McGowan Calculated Property |
| Pc | 708.46 | kPa | Joback Calculated Property |
| Inp | 3614.00 | NIST | |
| Tboil | 713.05 | K | Relay (1.0) Calculated Property |
| Tc | 901.21 | K | Relay (1.0) Calculated Property |
| Tfus | 302.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.617 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [617.31; 1464.75] | 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 | -7.46900e+00 | |||
| Coefficient B | 2.66532e+00 | |||
| Coefficient C | -1.45020e-03 | |||
| Coefficient D | 2.57100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 617.31 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 765.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 898.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1016.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1120.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1211.94 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1291.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1359.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1416.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1464.75 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002912; 0.0000163] | Pa×s | [538.94; 888.92] |
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 | -1.54673e+01 | |||
| Coefficient B | 3.94810e+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. | 538.94 | |||
| Temperature range, max. | 888.92 | |||
| η | 0.0002912 | Pa×s | 538.94 | Calculated Property |
| η | 0.0001778 | Pa×s | 577.83 | Calculated Property |
| η | 0.0001156 | Pa×s | 616.71 | Calculated Property |
| η | 0.0000791 | Pa×s | 655.60 | Calculated Property |
| η | 0.0000564 | Pa×s | 694.49 | Calculated Property |
| η | 0.0000418 | Pa×s | 733.37 | Calculated Property |
| η | 0.0000318 | Pa×s | 772.26 | Calculated Property |
| η | 0.0000249 | Pa×s | 811.14 | Calculated Property |
| η | 0.0000199 | Pa×s | 850.03 | Calculated Property |
| η | 0.0000163 | Pa×s | 888.92 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, heptadecyl phenethyl ester.
Sources
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