- InChI
- InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3
- InChI Key
- FELCJAPFJOPHSD-UHFFFAOYSA-N
- Formula
- C30H48O2
- SMILES
-
C=C(C)C1CCC2(C=O)CCC3(C)C(CCC4
C5(C)CCC(O)C(C)(C)C5CCC43C)C12 - Molecular Weight1
- 440.70
- CAS
- 13159-28-9
- 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° | 202.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -503.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.17 | kJ/mol | Joback Calculated Property |
| log10WS | -7.95 | Crippen Calculated Property | |
| logPoct/wat | 7.204 | Crippen Calculated Property | |
| McVol | 382.400 | ml/mol | McGowan Calculated Property |
| Pc | 1069.36 | kPa | Joback Calculated Property |
| Inp | [3628.60; 3628.60] |
|
|
| Inp | 3628.60 | NIST | |
| Inp | 3628.60 | NIST | |
| Tboil | 1055.70 | K | Joback Calculated Property |
| Tc | 1299.98 | K | Joback Calculated Property |
| Tfus | 677.60 | K | Joback Calculated Property |
| Vc | 1.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1607.54; 2073.36] | J/mol×K | [1055.70; 1299.98] |
|
| Cp,gas | 1607.54 | J/mol×K | 1055.70 | Joback Calculated Property |
| Cp,gas | 1667.51 | J/mol×K | 1096.41 | Joback Calculated Property |
| Cp,gas | 1733.47 | J/mol×K | 1137.13 | Joback Calculated Property |
| Cp,gas | 1806.22 | J/mol×K | 1177.84 | Joback Calculated Property |
| Cp,gas | 1886.57 | J/mol×K | 1218.56 | Joback Calculated Property |
| Cp,gas | 1975.34 | J/mol×K | 1259.27 | Joback Calculated Property |
| Cp,gas | 2073.36 | J/mol×K | 1299.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Betunal.
Sources
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