- InChI
- InChI=1S/C29H54O4/c1-3-5-7-8-9-10-11-12-13-14-17-20-23-27-33-29(31)25-22-19-16-15-18-21-24-28(30)32-26-6-4-2/h4H,2-3,5-27H2,1H3
- InChI Key
- QWUVIJUUGFNXQQ-UHFFFAOYSA-N
- Formula
- C29H54O4
- SMILES
-
C=CCCOC(=O)CCCCCCCCC(=O)OCCCCC
CCCCCCCCCC - Molecular Weight1
- 466.74
- 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 | 1.3178 | Relay (1.0) Calculated Property | |
| ΔfG° | -339.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1145.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 78.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.861 | Crippen Calculated Property | |
| McVol | 430.050 | ml/mol | McGowan Calculated Property |
| Pc | 640.92 | kPa | Joback Calculated Property |
| Inp | 3266.00 | NIST | |
| Tboil | 695.47 | K | Relay (1.0) Calculated Property |
| Tc | 852.97 | K | Relay (1.0) Calculated Property |
| Tfus | 298.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.645 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1489.35; 1594.85] | J/mol×K | [976.24; 1211.73] | 
|
| Cp,gas | 1489.35 | J/mol×K | 976.24 | Joback Calculated Property |
| Cp,gas | 1511.77 | J/mol×K | 1015.49 | Joback Calculated Property |
| Cp,gas | 1532.14 | J/mol×K | 1054.74 | Joback Calculated Property |
| Cp,gas | 1550.55 | J/mol×K | 1093.99 | Joback Calculated Property |
| Cp,gas | 1567.08 | J/mol×K | 1133.24 | Joback Calculated Property |
| Cp,gas | 1581.82 | J/mol×K | 1172.49 | Joback Calculated Property |
| Cp,gas | 1594.85 | J/mol×K | 1211.73 | Joback Calculated Property |
| η | [0.0000110; 0.0004325] | Pa×s | [499.49; 976.24] |
|
| η | 0.0004325 | Pa×s | 499.49 | Joback Calculated Property |
| η | 0.0001541 | Pa×s | 578.95 | Joback Calculated Property |
| η | 0.0000705 | Pa×s | 658.41 | Joback Calculated Property |
| η | 0.0000381 | Pa×s | 737.87 | Joback Calculated Property |
| η | 0.0000232 | Pa×s | 817.32 | Joback Calculated Property |
| η | 0.0000155 | Pa×s | 896.78 | Joback Calculated Property |
| η | 0.0000110 | Pa×s | 976.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, but-3-enyl pentadecyl ester.
Sources
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