- InChI
- InChI=1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+
- InChI Key
- QYIMSPSDBYKPPY-BANQPHDMSA-N
- Formula
- C30H50O
- SMILES
-
CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C
)CCC=C(C)CCC1OC1(C)C - Molecular Weight1
- 426.72
- CAS
- 7200-26-2
- Other Names
-
- 2,2-Dimethyl-3-((3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl)oxirane
- 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° | 521.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 68.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.53 | kJ/mol | Joback Calculated Property |
| log10WS | -10.85 | Crippen Calculated Property | |
| logPoct/wat | 9.816 | Crippen Calculated Property | |
| McVol | 407.070 | ml/mol | McGowan Calculated Property |
| Pc | 738.42 | kPa | Joback Calculated Property |
| Inp | [2963.40; 2963.40] |
|
|
| Inp | 2963.40 | NIST | |
| Inp | 2963.40 | NIST | |
| Tboil | 935.26 | K | Joback Calculated Property |
| Tc | 1146.41 | K | Joback Calculated Property |
| Tfus | 396.83 | K | Joback Calculated Property |
| Vc | 1.595 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1375.92; 1545.96] | J/mol×K | [935.26; 1146.41] |
|
| Cp,gas | 1375.92 | J/mol×K | 935.26 | Joback Calculated Property |
| Cp,gas | 1403.12 | J/mol×K | 970.45 | Joback Calculated Property |
| Cp,gas | 1430.44 | J/mol×K | 1005.64 | Joback Calculated Property |
| Cp,gas | 1458.14 | J/mol×K | 1040.84 | Joback Calculated Property |
| Cp,gas | 1486.46 | J/mol×K | 1076.03 | Joback Calculated Property |
| Cp,gas | 1515.65 | J/mol×K | 1111.22 | Joback Calculated Property |
| Cp,gas | 1545.96 | J/mol×K | 1146.41 | Joback Calculated Property |
Similar Compounds
Sources
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