- InChI
- InChI=1S/C29H48O4/c1-3-4-5-6-7-8-9-12-15-18-24-32-28(30)22-16-13-10-11-14-17-23-29(31)33-27-21-19-20-26(2)25-27/h19-21,25H,3-18,22-24H2,1-2H3
- InChI Key
- SMEWHOMTFCHLDZ-UHFFFAOYSA-N
- Formula
- C29H48O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O
)Oc1cccc(C)c1 - Molecular Weight1
- 460.69
- 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 | 1.3150 | Relay (... Calculated Property | |
| ΔfG° | -171.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1030.33 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 70.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.34 | kJ/mol | Relay (... Calculated Property |
| IE | 8.57 | eV | Relay (... Calculated Property |
| log10WS | -7.86 | Relay (... Calculated Property | |
| logPoct/wat | 8.485 | Crippen Calculated Property | |
| McVol | 410.590 | ml/mol | McGowan Calculated Property |
| Pc | 774.18 | kPa | Joback Calculated Property |
| Inp | 3482.00 | NIST | |
| Tboil | 698.67 | K | Relay (... Calculated Property |
| Tc | 896.36 | K | Relay (... Calculated Property |
| Tfus | 317.47 | K | Relay (... Calculated Property |
| Vc | 1.561 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1433.07; 1517.56] | J/mol×K | [1047.16; 1291.10] | 
|
| Cp,gas | 1433.07 | J/mol×K | 1047.16 | Joback Calculated Property |
| Cp,gas | 1451.70 | J/mol×K | 1087.82 | Joback Calculated Property |
| Cp,gas | 1468.40 | J/mol×K | 1128.47 | Joback Calculated Property |
| Cp,gas | 1483.25 | J/mol×K | 1169.13 | Joback Calculated Property |
| Cp,gas | 1496.34 | J/mol×K | 1209.79 | Joback Calculated Property |
| Cp,gas | 1507.75 | J/mol×K | 1250.44 | Joback Calculated Property |
| Cp,gas | 1517.56 | J/mol×K | 1291.10 | Joback Calculated Property |
| η | [0.0000143; 0.0002083] | Pa×s | [599.85; 1047.16] |
|
| η | 0.0002083 | Pa×s | 599.85 | Joback Calculated Property |
| η | 0.0001042 | Pa×s | 674.40 | Joback Calculated Property |
| η | 0.0000598 | Pa×s | 748.95 | Joback Calculated Property |
| η | 0.0000380 | Pa×s | 823.50 | Joback Calculated Property |
| η | 0.0000260 | Pa×s | 898.06 | Joback Calculated Property |
| η | 0.0000189 | Pa×s | 972.61 | Joback Calculated Property |
| η | 0.0000143 | Pa×s | 1047.16 | Joback Calculated Property |
Similar Compounds
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Sources
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