- InChI
- InChI=1S/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,22,24,27-28H,10,12-20H2,1-9H3/t22-,24-,27?,28-,30+,31-,32+/m1/s1
- InChI Key
- BQPPJGMMIYJVBR-NUBGRVATSA-N
- Formula
- C32H52O2
- SMILES
-
CC(=O)OC1CCC2(C)C3=C(CCC2C1(C)
C)C1(C)CCC(C(C)CCC=C(C)C)C1(C) CC3 - Molecular Weight1
- 468.75
- CAS
- 52689-37-9
- 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 | 0.6538 | Relay (1.0) Calculated Property | |
| ΔfG° | 201.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -670.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.050 | Crippen Calculated Property | |
| McVol | 417.140 | ml/mol | McGowan Calculated Property |
| Pc | 841.62 | kPa | Joback Calculated Property |
| Inp | 3323.00 | NIST | |
| Tboil | 698.23 | K | Relay (1.0) Calculated Property |
| Tc | 980.77 | K | Relay (1.0) Calculated Property |
| Tfus | 407.09 | K | Relay (1.0) Calculated Property |
| Vc | 1.481 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1654.54; 2051.14] | J/mol×K | [1055.83; 1298.35] | 
|
| Cp,gas | 1654.54 | J/mol×K | 1055.83 | Joback Calculated Property |
| Cp,gas | 1707.58 | J/mol×K | 1096.25 | Joback Calculated Property |
| Cp,gas | 1764.97 | J/mol×K | 1136.67 | Joback Calculated Property |
| Cp,gas | 1827.36 | J/mol×K | 1177.09 | Joback Calculated Property |
| Cp,gas | 1895.41 | J/mol×K | 1217.51 | Joback Calculated Property |
| Cp,gas | 1969.79 | J/mol×K | 1257.93 | Joback Calculated Property |
| Cp,gas | 2051.14 | J/mol×K | 1298.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tirucallol acetate.
Sources
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