- InChI
- InChI=1S/C25H38O4/c1-3-5-7-8-9-10-11-12-13-14-15-21-29-25(27)23-18-16-22(17-19-23)24(26)28-20-6-4-2/h4,16-19H,2-3,5-15,20-21H2,1H3
- InChI Key
- YCEVAJOGSYXNPQ-UHFFFAOYSA-N
- Formula
- C25H38O4
- SMILES
-
C=CCCOC(=O)c1ccc(C(=O)OCCCCCCC
CCCCCC)cc1 - Molecular Weight1
- 402.57
- 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 | 1.1579 | Relay (1.0) Calculated Property | |
| ΔfG° | -270.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -842.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.887 | Crippen Calculated Property | |
| McVol | 349.930 | ml/mol | McGowan Calculated Property |
| Pc | 946.75 | kPa | Joback Calculated Property |
| Inp | [3076.00; 3076.00] |
|
|
| Inp | 3076.00 | NIST | |
| Inp | 3076.00 | NIST | |
| Tboil | 696.40 | K | Relay (1.0) Calculated Property |
| Tc | 878.51 | K | Relay (1.0) Calculated Property |
| Tfus | 288.71 | K | Relay (1.0) Calculated Property |
| Vc | 1.304 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.99; 1175.24] | 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 | 8.38400e+00 | |||
| Coefficient B | 2.11082e+00 | |||
| Coefficient C | -1.13406e-03 | |||
| Coefficient D | 1.90100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 503.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 621.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 727.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 821.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 903.95 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 976.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1039.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1093.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1138.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1175.24 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0005036; 0.0000399] | Pa×s | [493.35; 785.80] |
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 | -1.44061e+01 | |||
| Coefficient B | 3.36088e+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. | 493.35 | |||
| Temperature range, max. | 785.80 | |||
| η | 0.0005036 | Pa×s | 493.35 | Calculated Property |
| η | 0.0003306 | Pa×s | 525.84 | Calculated Property |
| η | 0.0002279 | Pa×s | 558.34 | Calculated Property |
| η | 0.0001637 | Pa×s | 590.83 | Calculated Property |
| η | 0.0001217 | Pa×s | 623.33 | Calculated Property |
| η | 0.0000931 | Pa×s | 655.82 | Calculated Property |
| η | 0.0000731 | Pa×s | 688.32 | Calculated Property |
| η | 0.0000587 | Pa×s | 720.81 | Calculated Property |
| η | 0.0000480 | Pa×s | 753.31 | Calculated Property |
| η | 0.0000399 | Pa×s | 785.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, but-3-enyl tridecyl ester.
Sources
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