- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1136.66; 1217.75] | J/mol×K | [916.38; 1122.57] |
|
| Cp,gas | 1136.66 | J/mol×K | 916.38 | Joback Calculated Property |
| Cp,gas | 1153.51 | J/mol×K | 950.75 | Joback Calculated Property |
| Cp,gas | 1168.97 | J/mol×K | 985.11 | Joback Calculated Property |
| Cp,gas | 1183.08 | J/mol×K | 1019.48 | Joback Calculated Property |
| Cp,gas | 1195.88 | J/mol×K | 1053.84 | Joback Calculated Property |
| Cp,gas | 1207.42 | J/mol×K | 1088.21 | Joback Calculated Property |
| Cp,gas | 1217.75 | J/mol×K | 1122.57 | Joback Calculated Property |
| η | [0.0000217; 0.0005036] | Pa×s | [493.35; 916.38] |
|
| η | 0.0005036 | Pa×s | 493.35 | Joback Calculated Property |
| η | 0.0002148 | Pa×s | 563.86 | Joback Calculated Property |
| η | 0.0001108 | Pa×s | 634.36 | Joback Calculated Property |
| η | 0.0000652 | Pa×s | 704.87 | Joback Calculated Property |
| η | 0.0000423 | Pa×s | 775.37 | Joback Calculated Property |
| η | 0.0000294 | Pa×s | 845.88 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 916.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, but-3-enyl tridecyl ester.
Sources
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