- InChI
- InChI=1S/C30H50O/c1-24(2)14-11-17-28(7)20-12-18-26(5)15-9-10-16-27(6)19-13-21-29(8)22-23-30(31)25(3)4/h14-16,20-21,30-31H,3,9-13,17-19,22-23H2,1-2,4-8H3/b26-15+,27-16+,28-20+,29-21+
- InChI Key
- JLUBMMAQMKVTGL-RLROCYJYSA-N
- Formula
- C30H50O
- SMILES
-
C=C(C)C(O)CCC(C)=CCCC(C)=CCCC=
C(C)CCC=C(C)CCC=C(C)C - Molecular Weight1
- 426.72
- CAS
- 97232-74-1
- Other Names
-
- (6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 500.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -167.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.27 | kJ/mol | Joback Calculated Property |
| log10WS | -10.88 | Crippen Calculated Property | |
| logPoct/wat | 9.576 | Crippen Calculated Property | |
| McVol | 413.630 | ml/mol | McGowan Calculated Property |
| Pc | 744.07 | kPa | Joback Calculated Property |
| Inp | [3030.80; 3030.80] |
|
|
| Inp | 3030.80 | NIST | |
| Inp | 3030.80 | NIST | |
| Tboil | 994.30 | K | Joback Calculated Property |
| Tc | 1219.90 | K | Joback Calculated Property |
| Tfus | 362.76 | K | Joback Calculated Property |
| Vc | 1.615 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1399.57; 1538.92] | J/mol×K | [994.30; 1219.90] |
|
| Cp,gas | 1399.57 | J/mol×K | 994.30 | Joback Calculated Property |
| Cp,gas | 1423.39 | J/mol×K | 1031.90 | Joback Calculated Property |
| Cp,gas | 1446.71 | J/mol×K | 1069.50 | Joback Calculated Property |
| Cp,gas | 1469.72 | J/mol×K | 1107.10 | Joback Calculated Property |
| Cp,gas | 1492.63 | J/mol×K | 1144.70 | Joback Calculated Property |
| Cp,gas | 1515.63 | J/mol×K | 1182.30 | Joback Calculated Property |
| Cp,gas | 1538.92 | J/mol×K | 1219.90 | Joback Calculated Property |
Similar Compounds
Sources
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