- InChI
- InChI=1S/C31H52O2/c1-19(2)20(3)9-10-21(4)25-13-14-27-24-11-12-26-22(5)29(33-23(6)32)16-18-31(26,8)28(24)15-17-30(25,27)7/h11,19-22,25-29H,9-10,12-18H2,1-8H3/t20?,21?,22-,25?,26-,27?,28?,29?,30?,31?/m1/s1
- InChI Key
- MPSMORKTRDBZSB-SZUPDOHLSA-N
- Formula
- C31H52O2
- SMILES
-
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC
4C(C)CCC(C)C(C)C)C3=CCC2C1C - Molecular Weight1
- 456.74
- 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° | 129.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -687.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.52 | kJ/mol | Joback Calculated Property |
| log10WS | -8.79 | Crippen Calculated Property | |
| logPoct/wat | 8.451 | Crippen Calculated Property | |
| McVol | 407.350 | ml/mol | McGowan Calculated Property |
| Pc | 816.33 | kPa | Joback Calculated Property |
| Inp | 3372.00 | NIST | |
| Tboil | 1017.90 | K | Joback Calculated Property |
| Tc | 1250.63 | K | Joback Calculated Property |
| Tfus | 564.57 | K | Joback Calculated Property |
| Vc | 1.544 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1578.55; 1804.91] | J/mol×K | [1017.90; 1250.63] | 
|
| Cp,gas | 1578.55 | J/mol×K | 1017.90 | Joback Calculated Property |
| Cp,gas | 1613.43 | J/mol×K | 1056.69 | Joback Calculated Property |
| Cp,gas | 1648.98 | J/mol×K | 1095.48 | Joback Calculated Property |
| Cp,gas | 1685.55 | J/mol×K | 1134.26 | Joback Calculated Property |
| Cp,gas | 1723.50 | J/mol×K | 1173.05 | Joback Calculated Property |
| Cp,gas | 1763.17 | J/mol×K | 1211.84 | Joback Calculated Property |
| Cp,gas | 1804.91 | J/mol×K | 1250.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Methyllophenol acetate.
Sources
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