- InChI
- InChI=1S/C30H50O5/c1-4-5-6-7-8-9-12-15-18-25-33-29(31)19-16-13-10-11-14-17-20-30(32)35-28-23-21-27(22-24-28)34-26(2)3/h21-24,26H,4-20,25H2,1-3H3
- InChI Key
- OPPXDBCPURKPGR-UHFFFAOYSA-N
- Formula
- C30H50O5
- SMILES
-
CCCCCCCCCCCOC(=O)CCCCCCCCC(=O)
Oc1ccc(OC(C)C)cc1 - Molecular Weight1
- 490.71
- 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 | 1.3677 | Relay (1.0) Calculated Property | |
| ΔfG° | -270.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1189.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.574 | Crippen Calculated Property | |
| McVol | 430.550 | ml/mol | McGowan Calculated Property |
| Pc | 730.86 | kPa | Joback Calculated Property |
| Inp | 3545.00 | NIST | |
| Tboil | 707.45 | K | Relay (1.0) Calculated Property |
| Tc | 898.02 | K | Relay (1.0) Calculated Property |
| Tfus | 340.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.640 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1524.78; 1594.05] | J/mol×K | [1092.02; 1354.95] | 
|
| Cp,gas | 1524.78 | J/mol×K | 1092.02 | Joback Calculated Property |
| Cp,gas | 1542.27 | J/mol×K | 1135.84 | Joback Calculated Property |
| Cp,gas | 1557.28 | J/mol×K | 1179.66 | Joback Calculated Property |
| Cp,gas | 1569.88 | J/mol×K | 1223.48 | Joback Calculated Property |
| Cp,gas | 1580.15 | J/mol×K | 1267.31 | Joback Calculated Property |
| Cp,gas | 1588.18 | J/mol×K | 1311.13 | Joback Calculated Property |
| Cp,gas | 1594.05 | J/mol×K | 1354.95 | Joback Calculated Property |
| η | [0.0000081; 0.0001352] | Pa×s | [618.35; 1092.02] |
|
| η | 0.0001352 | Pa×s | 618.35 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 697.29 | Joback Calculated Property |
| η | 0.0000361 | Pa×s | 776.24 | Joback Calculated Property |
| η | 0.0000224 | Pa×s | 855.18 | Joback Calculated Property |
| η | 0.0000151 | Pa×s | 934.13 | Joback Calculated Property |
| η | 0.0000108 | Pa×s | 1013.07 | Joback Calculated Property |
| η | 0.0000081 | Pa×s | 1092.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-isopropoxyphenyl undecyl ester.
Sources
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