- InChI
- InChI=1S/C29H54O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-33-29(31)25-21-20-24-28(30)32-26-22-6-4-2/h4H,2-3,5-27H2,1H3
- InChI Key
- FICQPOWOLLKCRD-UHFFFAOYSA-N
- Formula
- C29H54O4
- SMILES
-
C=CCCCOC(=O)CCCCC(=O)OCCCCCCCC
CCCCCCCCCC - Molecular Weight1
- 466.75
- 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 | 1.3208 | Relay (1.0) Calculated Property | |
| ΔfG° | -339.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1154.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 78.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.24 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.861 | Crippen Calculated Property | |
| McVol | 430.050 | ml/mol | McGowan Calculated Property |
| Pc | 640.92 | kPa | Joback Calculated Property |
| Inp | [3230.00; 3230.00] |
|
|
| Inp | 3230.00 | NIST | |
| Inp | 3230.00 | NIST | |
| Tboil | 697.89 | K | Relay (1.0) Calculated Property |
| Tc | 852.49 | K | Relay (1.0) Calculated Property |
| Tfus | 302.31 | K | Relay (1.0) Calculated Property |
| Vc | 1.646 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [643.55; 1503.17] | 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 | 2.43540e+01 | |||
| Coefficient B | 2.62922e+00 | |||
| Coefficient C | -1.38750e-03 | |||
| Coefficient D | 2.37100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 643.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 791.35 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 924.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1043.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1148.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1241.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1323.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1393.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1452.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1503.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004325; 0.0000197] | Pa×s | [499.49; 848.21] |
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 | -1.52642e+01 | |||
| Coefficient B | 3.75536e+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. | 499.49 | |||
| Temperature range, max. | 848.21 | |||
| η | 0.0004325 | Pa×s | 499.49 | Calculated Property |
| η | 0.0002518 | Pa×s | 538.24 | Calculated Property |
| η | 0.0001576 | Pa×s | 576.98 | Calculated Property |
| η | 0.0001046 | Pa×s | 615.73 | Calculated Property |
| η | 0.0000729 | Pa×s | 654.48 | Calculated Property |
| η | 0.0000529 | Pa×s | 693.23 | Calculated Property |
| η | 0.0000397 | Pa×s | 731.97 | Calculated Property |
| η | 0.0000307 | Pa×s | 770.72 | Calculated Property |
| η | 0.0000243 | Pa×s | 809.47 | Calculated Property |
| η | 0.0000197 | Pa×s | 848.21 | Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, octadecyl pent-4-enyl ester.
Sources
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