- InChI
- InChI=1S/C29H48/c1-25(2)17-14-21-27(5)19-12-10-8-9-11-13-20-28(6)23-16-24-29(7)22-15-18-26(3)4/h8-9,17-20,24H,10-16,21-23H2,1-7H3/b9-8+,27-19+,28-20+,29-24+
- InChI Key
- BBCQGYMUMKNTQE-BAIGTOHMSA-N
- Formula
- C29H48
- SMILES
-
CC(C)=CCCC(C)=CCCC=CCCC=C(C)CC
C=C(C)CCC=C(C)C - Molecular Weight1
- 396.69
- ω : Acentric Factor.
- 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).
- 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 | 0.6785 | Relay (... Calculated Property | |
| ΔfG° | 631.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -284.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 65.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 116.22 | kJ/mol | Relay (... Calculated Property |
| IE | 7.72 | eV | Relay (... Calculated Property |
| log10WS | -8.79 | Relay (... Calculated Property | |
| logPoct/wat | 10.215 | Crippen Calculated Property | |
| McVol | 393.670 | ml/mol | McGowan Calculated Property |
| Pc | 744.48 | kPa | Joback Calculated Property |
| Inp | [2813.00; 2859.00] |
|
|
| Inp | 2813.00 | NIST | |
| Inp | 2813.00 | NIST | |
| Inp | 2859.00 | NIST | |
| Inp | 2830.00 | NIST | |
| Inp | 2830.00 | NIST | |
| Tboil | 646.16 | K | Relay (... Calculated Property |
| Tc | 814.60 | K | Relay (... Calculated Property |
| Tfus | 233.65 | K | Relay (... Calculated Property |
| Vc | 1.371 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1257.00; 1385.20] | J/mol×K | [887.28; 1089.10] |
|
| Cp,gas | 1257.00 | J/mol×K | 887.28 | Joback Calculated Property |
| Cp,gas | 1279.79 | J/mol×K | 920.92 | Joback Calculated Property |
| Cp,gas | 1301.81 | J/mol×K | 954.55 | Joback Calculated Property |
| Cp,gas | 1323.22 | J/mol×K | 988.19 | Joback Calculated Property |
| Cp,gas | 1344.16 | J/mol×K | 1021.83 | Joback Calculated Property |
| Cp,gas | 1364.77 | J/mol×K | 1055.46 | Joback Calculated Property |
| Cp,gas | 1385.20 | J/mol×K | 1089.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 10-Demethylsqualene.
Sources
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