- InChI
- InChI=1S/C29H48O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-33-28(30)21-18-22-29(31)34-25-26-19-17-20-27(24-26)32-2/h17,19-20,24H,3-16,18,21-23,25H2,1-2H3
- InChI Key
- VIFXKTBPMZHAID-UHFFFAOYSA-N
- Formula
- C29H48O5
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)
OCc1cccc(OC)c1 - Molecular Weight1
- 476.69
- 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 | 1.3422 | Relay (1.0) Calculated Property | |
| ΔfG° | -276.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1122.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.933 | Crippen Calculated Property | |
| McVol | 416.460 | ml/mol | McGowan Calculated Property |
| Pc | 766.91 | kPa | Joback Calculated Property |
| Inp | 3561.00 | NIST | |
| Tboil | 711.77 | K | Relay (1.0) Calculated Property |
| Tc | 903.06 | K | Relay (1.0) Calculated Property |
| Tfus | 307.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.576 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1461.42; 1533.52] | J/mol×K | [1069.58; 1323.36] | 
|
| Cp,gas | 1461.42 | J/mol×K | 1069.58 | Joback Calculated Property |
| Cp,gas | 1478.94 | J/mol×K | 1111.88 | Joback Calculated Property |
| Cp,gas | 1494.16 | J/mol×K | 1154.17 | Joback Calculated Property |
| Cp,gas | 1507.16 | J/mol×K | 1196.47 | Joback Calculated Property |
| Cp,gas | 1518.01 | J/mol×K | 1238.77 | Joback Calculated Property |
| Cp,gas | 1526.78 | J/mol×K | 1281.06 | Joback Calculated Property |
| Cp,gas | 1533.52 | J/mol×K | 1323.36 | Joback Calculated Property |
| η | [0.0000105; 0.0001425] | Pa×s | [622.08; 1069.58] |
|
| η | 0.0001425 | Pa×s | 622.08 | Joback Calculated Property |
| η | 0.0000731 | Pa×s | 696.66 | Joback Calculated Property |
| η | 0.0000426 | Pa×s | 771.25 | Joback Calculated Property |
| η | 0.0000274 | Pa×s | 845.83 | Joback Calculated Property |
| η | 0.0000189 | Pa×s | 920.41 | Joback Calculated Property |
| η | 0.0000137 | Pa×s | 995.00 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 1069.58 | Joback Calculated Property |
Similar Compounds
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Sources
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