- InChI
- InChI=1S/C31H52/c1-25(2)15-10-17-27(5)19-12-20-29(7)22-14-24-31(9)30(8)23-13-21-28(6)18-11-16-26(3)4/h15-16,19,21-22H,10-14,17-18,20,23-24H2,1-9H3/b27-19+,28-21+,29-22+,31-30+
- InChI Key
- ONDJHVGPCYSWSC-PXFYGUSISA-N
- Formula
- C31H52
- SMILES
-
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=
C(C)CCC=C(C)CCC=C(C)C - Molecular Weight1
- 424.74
- 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° | 631.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -48.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.91 | kJ/mol | Joback Calculated Property |
| log10WS | -11.92 | Crippen Calculated Property | |
| logPoct/wat | 10.995 | Crippen Calculated Property | |
| McVol | 421.850 | ml/mol | McGowan Calculated Property |
| Pc | 675.70 | kPa | Joback Calculated Property |
| Inp | [2830.00; 2830.00] |
|
|
| Inp | 2830.00 | NIST | |
| Inp | 2830.00 | NIST | |
| Tboil | 932.80 | K | Joback Calculated Property |
| Tc | 1142.58 | K | Joback Calculated Property |
| Tfus | 310.93 | K | Joback Calculated Property |
| Vc | 1.659 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1387.10; 1526.18] | J/mol×K | [932.80; 1142.58] |
|
| Cp,gas | 1387.10 | J/mol×K | 932.80 | Joback Calculated Property |
| Cp,gas | 1411.43 | J/mol×K | 967.76 | Joback Calculated Property |
| Cp,gas | 1435.08 | J/mol×K | 1002.73 | Joback Calculated Property |
| Cp,gas | 1458.22 | J/mol×K | 1037.69 | Joback Calculated Property |
| Cp,gas | 1481.00 | J/mol×K | 1072.65 | Joback Calculated Property |
| Cp,gas | 1503.59 | J/mol×K | 1107.62 | Joback Calculated Property |
| Cp,gas | 1526.18 | J/mol×K | 1142.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 11-methylsqualene.
Sources
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