- InChI
- InChI=1S/C30H50O4/c1-4-5-6-7-8-9-10-13-16-19-22-33-29(31)20-17-14-11-12-15-18-21-30(32)34-28-24-26(2)23-27(3)25-28/h23-25H,4-22H2,1-3H3
- InChI Key
- LKDILIQZGRIQRF-UHFFFAOYSA-N
- Formula
- C30H50O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O
)Oc1cc(C)cc(C)c1 - Molecular Weight1
- 474.72
- 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 | 1.3518 | Relay (1.0) Calculated Property | |
| ΔfG° | -172.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1064.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 137.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.794 | Crippen Calculated Property | |
| McVol | 424.680 | ml/mol | McGowan Calculated Property |
| Pc | 728.49 | kPa | Joback Calculated Property |
| Inp | 3574.00 | NIST | |
| Tboil | 701.13 | K | Relay (1.0) Calculated Property |
| Tc | 905.04 | K | Relay (1.0) Calculated Property |
| Tfus | 320.77 | K | Relay (1.0) Calculated Property |
| Vc | 1.618 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1496.08; 1578.16] | J/mol×K | [1075.02; 1331.15] | 
|
| Cp,gas | 1496.08 | J/mol×K | 1075.02 | Joback Calculated Property |
| Cp,gas | 1514.89 | J/mol×K | 1117.71 | Joback Calculated Property |
| Cp,gas | 1531.53 | J/mol×K | 1160.40 | Joback Calculated Property |
| Cp,gas | 1546.08 | J/mol×K | 1203.08 | Joback Calculated Property |
| Cp,gas | 1558.64 | J/mol×K | 1245.77 | Joback Calculated Property |
| Cp,gas | 1569.31 | J/mol×K | 1288.46 | Joback Calculated Property |
| Cp,gas | 1578.16 | J/mol×K | 1331.15 | Joback Calculated Property |
| η | [0.0000126; 0.0001630] | Pa×s | [623.64; 1075.02] |
|
| η | 0.0001630 | Pa×s | 623.64 | Joback Calculated Property |
| η | 0.0000846 | Pa×s | 698.87 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 774.10 | Joback Calculated Property |
| η | 0.0000323 | Pa×s | 849.33 | Joback Calculated Property |
| η | 0.0000224 | Pa×s | 924.56 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 999.79 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 1075.02 | Joback Calculated Property |
Similar Compounds
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Sources
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