- InChI
- InChI=1S/C30H46O4/c1-2-3-4-5-6-7-8-9-10-11-17-24-33-29(31)27-22-15-16-23-28(27)30(32)34-25-18-21-26-19-13-12-14-20-26/h12-16,19-20,27-28H,2-11,17-18,21-25H2,1H3
- InChI Key
- JVIGWTWTMOCOCP-UHFFFAOYSA-N
- Formula
- C30H46O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C1CC=CCC1C(
=O)OCCCc1ccccc1 - Molecular Weight1
- 470.69
- 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 | 1.1325 | Relay (1.0) Calculated Property | |
| ΔfG° | -259.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -867.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.599 | Crippen Calculated Property | |
| McVol | 409.520 | ml/mol | McGowan Calculated Property |
| Pc | 793.94 | kPa | Joback Calculated Property |
| Inp | [3426.00; 3426.00] |
|
|
| Inp | 3426.00 | NIST | |
| Inp | 3426.00 | NIST | |
| Tboil | 718.73 | K | Relay (1.0) Calculated Property |
| Tc | 933.88 | K | Relay (1.0) Calculated Property |
| Tfus | 318.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.496 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.98; 1425.18] | 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 | -5.93550e+01 | |||
| Coefficient B | 2.70492e+00 | |||
| Coefficient C | -1.46308e-03 | |||
| Coefficient D | 2.42700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 574.98 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 725.21 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 859.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 979.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1084.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1176.49 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1255.74 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1323.09 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1379.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1425.18 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003669; 0.0000246] | Pa×s | [542.84; 894.81] |
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 | -1.47798e+01 | |||
| Coefficient B | 3.72892e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 542.84 | |||
| Temperature range, max. | 894.81 | |||
| η | 0.0003669 | Pa×s | 542.84 | Calculated Property |
| η | 0.0002312 | Pa×s | 581.95 | Calculated Property |
| η | 0.0001545 | Pa×s | 621.05 | Calculated Property |
| η | 0.0001082 | Pa×s | 660.16 | Calculated Property |
| η | 0.0000789 | Pa×s | 699.27 | Calculated Property |
| η | 0.0000595 | Pa×s | 738.38 | Calculated Property |
| η | 0.0000461 | Pa×s | 777.48 | Calculated Property |
| η | 0.0000367 | Pa×s | 816.59 | Calculated Property |
| η | 0.0000298 | Pa×s | 855.70 | Calculated Property |
| η | 0.0000246 | Pa×s | 894.81 | Calculated Property |
Similar Compounds
Sources
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