- InChI
- InChI=1S/C23H28O4/c24-22(26-18-8-14-20-10-3-1-4-11-20)16-7-17-23(25)27-19-9-15-21-12-5-2-6-13-21/h1-6,10-13H,7-9,14-19H2
- InChI Key
- HLWIUNZETPJEPV-UHFFFAOYSA-N
- Formula
- C23H28O4
- SMILES
-
O=C(CCCC(=O)OCCCc1ccccc1)OCCCc
1ccccc1 - Molecular Weight1
- 368.47
- 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 | 0.9773 | Relay (1.0) Calculated Property | |
| ΔfG° | -253.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -642.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.509 | Crippen Calculated Property | |
| McVol | 302.290 | ml/mol | McGowan Calculated Property |
| Pc | 1318.48 | kPa | Joback Calculated Property |
| Inp | [3052.00; 3052.00] |
|
|
| Inp | 3052.00 | NIST | |
| Inp | 3052.00 | NIST | |
| Tboil | 699.04 | K | Relay (1.0) Calculated Property |
| Tc | 915.15 | K | Relay (1.0) Calculated Property |
| Tfus | 323.12 | K | Relay (1.0) Calculated Property |
| Vc | 1.124 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.56; 985.09] | 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 | -3.50110e+01 | |||
| Coefficient B | 1.92140e+00 | |||
| Coefficient C | -1.10060e-03 | |||
| Coefficient D | 1.99300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 411.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 515.81 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 608.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 690.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 761.48 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 823.10 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 875.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 919.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 956.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 985.09 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006223; 0.0000481] | Pa×s | [486.47; 778.18] |
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 | -1.42116e+01 | |||
| Coefficient B | 3.32240e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 486.47 | |||
| Temperature range, max. | 778.18 | |||
| η | 0.0006223 | Pa×s | 486.47 | Calculated Property |
| η | 0.0004062 | Pa×s | 518.88 | Calculated Property |
| η | 0.0002788 | Pa×s | 551.30 | Calculated Property |
| η | 0.0001995 | Pa×s | 583.71 | Calculated Property |
| η | 0.0001479 | Pa×s | 616.12 | Calculated Property |
| η | 0.0001129 | Pa×s | 648.53 | Calculated Property |
| η | 0.0000885 | Pa×s | 680.95 | Calculated Property |
| η | 0.0000709 | Pa×s | 713.36 | Calculated Property |
| η | 0.0000579 | Pa×s | 745.77 | Calculated Property |
| η | 0.0000481 | Pa×s | 778.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(3-phenylpropyl) ester.
Sources
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