- InChI
- InChI=1S/C28H42O4/c1-2-3-4-5-6-7-8-9-15-22-31-27(29)25-20-13-14-21-26(25)28(30)32-23-16-19-24-17-11-10-12-18-24/h10-14,17-18,25-26H,2-9,15-16,19-23H2,1H3
- InChI Key
- JPMLMNGXIXYMDR-UHFFFAOYSA-N
- Formula
- C28H42O4
- SMILES
-
CCCCCCCCCCCOC(=O)C1CC=CCC1C(=O
)OCCCc1ccccc1 - Molecular Weight1
- 442.64
- 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 | 1.0587 | Relay (1.0) Calculated Property | |
| ΔfG° | -276.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -825.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.819 | Crippen Calculated Property | |
| McVol | 381.340 | ml/mol | McGowan Calculated Property |
| Pc | 887.35 | kPa | Joback Calculated Property |
| Inp | [3228.00; 3228.00] |
|
|
| Inp | 3228.00 | NIST | |
| Inp | 3228.00 | NIST | |
| Tboil | 705.62 | K | Relay (1.0) Calculated Property |
| Tc | 920.88 | K | Relay (1.0) Calculated Property |
| Tfus | 315.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.389 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1320.79; 1392.68] | J/mol×K | [997.40; 1221.26] |
|
| Cp,gas | 1320.79 | J/mol×K | 997.40 | Joback Calculated Property |
| Cp,gas | 1337.24 | J/mol×K | 1034.71 | Joback Calculated Property |
| Cp,gas | 1351.82 | J/mol×K | 1072.02 | Joback Calculated Property |
| Cp,gas | 1364.58 | J/mol×K | 1109.33 | Joback Calculated Property |
| Cp,gas | 1375.60 | J/mol×K | 1146.64 | Joback Calculated Property |
| Cp,gas | 1384.94 | J/mol×K | 1183.95 | Joback Calculated Property |
| Cp,gas | 1392.68 | J/mol×K | 1221.26 | Joback Calculated Property |
| η | [0.0000186; 0.0004816] | Pa×s | [520.30; 997.40] |
|
| η | 0.0004816 | Pa×s | 520.30 | Joback Calculated Property |
| η | 0.0001954 | Pa×s | 599.82 | Joback Calculated Property |
| η | 0.0000979 | Pa×s | 679.33 | Joback Calculated Property |
| η | 0.0000567 | Pa×s | 758.85 | Joback Calculated Property |
| η | 0.0000364 | Pa×s | 838.37 | Joback Calculated Property |
| η | 0.0000253 | Pa×s | 917.88 | Joback Calculated Property |
| η | 0.0000186 | Pa×s | 997.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, 3-phenylpropyl undecyl ester.
Sources
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