- InChI
- InChI=1S/C30H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-32-30(31)27(4)29-22-20-28(21-23-29)25-26(2)3/h20-23,26-27H,5-19,24-25H2,1-4H3
- InChI Key
- CZJRTYJMXKJDGM-UHFFFAOYSA-N
- Formula
- C30H52O2
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(C)c1c
cc(CC(C)C)cc1 - Molecular Weight1
- 444.73
- 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 | 1.1738 | Relay (1.0) Calculated Property | |
| ΔfG° | 65.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -781.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.403 | Crippen Calculated Property | |
| McVol | 417.240 | ml/mol | McGowan Calculated Property |
| Pc | 722.63 | kPa | Joback Calculated Property |
| Inp | [2262.00; 2262.00] |
|
|
| Inp | 2262.00 | NIST | |
| Inp | 2262.00 | NIST | |
| Tboil | 674.15 | K | Relay (1.0) Calculated Property |
| Tc | 885.85 | K | Relay (1.0) Calculated Property |
| Tfus | 310.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.574 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1449.90; 1555.46] | J/mol×K | [992.87; 1218.47] |
|
| Cp,gas | 1449.90 | J/mol×K | 992.87 | Joback Calculated Property |
| Cp,gas | 1471.29 | J/mol×K | 1030.47 | Joback Calculated Property |
| Cp,gas | 1491.03 | J/mol×K | 1068.07 | Joback Calculated Property |
| Cp,gas | 1509.24 | J/mol×K | 1105.67 | Joback Calculated Property |
| Cp,gas | 1525.98 | J/mol×K | 1143.27 | Joback Calculated Property |
| Cp,gas | 1541.36 | J/mol×K | 1180.87 | Joback Calculated Property |
| Cp,gas | 1555.46 | J/mol×K | 1218.47 | Joback Calculated Property |
| η | [0.0000148; 0.0004473] | Pa×s | [508.96; 992.87] |
|
| η | 0.0004473 | Pa×s | 508.96 | Joback Calculated Property |
| η | 0.0001718 | Pa×s | 589.61 | Joback Calculated Property |
| η | 0.0000830 | Pa×s | 670.26 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 750.91 | Joback Calculated Property |
| η | 0.0000296 | Pa×s | 831.57 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 912.22 | Joback Calculated Property |
| η | 0.0000148 | Pa×s | 992.87 | Joback Calculated Property |
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Sources
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