- InChI
- InChI=1S/C28H36O4/c1-2-3-4-5-6-14-21-31-27(29)24-18-10-11-19-25(24)28(30)32-26-20-13-12-17-23(26)22-15-8-7-9-16-22/h7-9,12-13,15-17,20,24-25H,2-6,10-11,14,18-19,21H2,1H3
- InChI Key
- NITKFZFCTSUEQP-UHFFFAOYSA-N
- Formula
- C28H36O4
- SMILES
-
CCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1
ccccc1-c1ccccc1 - Molecular Weight1
- 436.58
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -51.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -615.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.57 | kJ/mol | Joback Calculated Property |
| log10WS | -8.52 | Crippen Calculated Property | |
| logPoct/wat | 6.969 | Crippen Calculated Property | |
| McVol | 361.880 | ml/mol | McGowan Calculated Property |
| Pc | 1114.82 | kPa | Joback Calculated Property |
| Inp | [3183.00; 3183.00] |
|
|
| Inp | 3183.00 | NIST | |
| Inp | 3183.00 | NIST | |
| Tboil | 1065.84 | K | Joback Calculated Property |
| Tc | 1308.19 | K | Joback Calculated Property |
| Tfus | 618.14 | K | Joback Calculated Property |
| Vc | 1.367 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1256.96; 1310.81] | J/mol×K | [1065.84; 1308.19] |
|
| Cp,gas | 1256.96 | J/mol×K | 1065.84 | Joback Calculated Property |
| Cp,gas | 1270.49 | J/mol×K | 1106.23 | Joback Calculated Property |
| Cp,gas | 1282.09 | J/mol×K | 1146.62 | Joback Calculated Property |
| Cp,gas | 1291.85 | J/mol×K | 1187.01 | Joback Calculated Property |
| Cp,gas | 1299.83 | J/mol×K | 1227.41 | Joback Calculated Property |
| Cp,gas | 1306.13 | J/mol×K | 1267.80 | Joback Calculated Property |
| Cp,gas | 1310.81 | J/mol×K | 1308.19 | Joback Calculated Property |
| η | [0.0000243; 0.0002762] | Pa×s | [618.14; 1065.84] |
|
| η | 0.0002762 | Pa×s | 618.14 | Joback Calculated Property |
| η | 0.0001481 | Pa×s | 692.76 | Joback Calculated Property |
| η | 0.0000897 | Pa×s | 767.37 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 841.99 | Joback Calculated Property |
| η | 0.0000420 | Pa×s | 916.61 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 991.22 | Joback Calculated Property |
| η | 0.0000243 | Pa×s | 1065.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl octyl ester.
Sources
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