- InChI
- InChI=1S/C54H90O12/c1-7-13-19-25-31-37-43(55)61-49-50(62-44(56)38-32-26-20-14-8-2)52(64-46(58)40-34-28-22-16-10-4)54(66-48(60)42-36-30-24-18-12-6)53(65-47(59)41-35-29-23-17-11-5)51(49)63-45(57)39-33-27-21-15-9-3/h7-42H2,1-6H3
- InChI Key
- ZYULWONIYVWSQP-UHFFFAOYSA-N
- Formula
- C54H90O12
- SMILES
-
CCCCCCCC(=O)Oc1c(OC(=O)CCCCCCC
)c(OC(=O)CCCCCCC)c(OC(=O)CCCCC CC)c(OC(=O)CCCCCCC)c1OC(=O)CCC CCCC - Molecular Weight1
- 931.29
- CAS
- 65201-71-0
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- 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 | 2.4783 | Relay (1.0) Calculated Property | |
| ΔfG° | -935.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2620.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 144.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 205.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 15.282 | Crippen Calculated Property | |
| McVol | 792.600 | ml/mol | McGowan Calculated Property |
| Pc | 290.22 | kPa | Joback Calculated Property |
| S°solid,1 bar | 1514.20 | J/mol×K | NIST |
| Tboil | 886.07 | K | Relay (1.0) Calculated Property |
| Tc | 1071.49 | K | Relay (1.0) Calculated Property |
| Tfus | 374.95 | K | Relay (1.0) Calculated Property |
| Vc | 3.005 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [-8010.04; 2548.54] | J/mol×K | [1944.24; 5876.36] | 
|
| Cp,gas | 2548.54 | J/mol×K | 1944.24 | Joback Calculated Property |
| Cp,gas | 1379.84 | J/mol×K | 2599.59 | Joback Calculated Property |
| Cp,gas | -361.60 | J/mol×K | 3254.95 | Joback Calculated Property |
| Cp,gas | -2423.55 | J/mol×K | 3910.30 | Joback Calculated Property |
| Cp,gas | -4553.77 | J/mol×K | 4565.65 | Joback Calculated Property |
| Cp,gas | -6500.01 | J/mol×K | 5221.01 | Joback Calculated Property |
| Cp,gas | -8010.04 | J/mol×K | 5876.36 | Joback Calculated Property |
| Cp,solid | 2131.30 | J/mol×K | 298.15 | NIST |
| η | [4.1789457e-08; 0.0000004] | Pa×s | [1220.32; 1944.24] |
|
| η | 0.0000004 | Pa×s | 1220.32 | Joback Calculated Property |
| η | 0.0000002 | Pa×s | 1340.97 | Joback Calculated Property |
| η | 0.0000001 | Pa×s | 1461.63 | Joback Calculated Property |
| η | 9.9603084e-08 | Pa×s | 1582.28 | Joback Calculated Property |
| η | 7.1568293e-08 | Pa×s | 1702.93 | Joback Calculated Property |
| η | 5.3723477e-08 | Pa×s | 1823.59 | Joback Calculated Property |
| η | 4.1789457e-08 | Pa×s | 1944.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene-hexa-n-octanoate.
Sources
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