- InChI
- InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3
- InChI Key
- XLMALTXPSGQGBX-UHFFFAOYSA-N
- Formula
- C22H29NO2
- SMILES
-
CCC(=O)OC(Cc1ccccc1)(c1ccccc1)
C(C)CN(C)C - Molecular Weight1
- 339.47
- CAS
- 77-50-9
- 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).
- 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° | 236.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.65 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.63 | kJ/mol | Joback Calculated Property |
| log10WS | -4.60 | Crippen Calculated Property | |
| logPoct/wat | 4.276 | Crippen Calculated Property | |
| McVol | 290.740 | ml/mol | McGowan Calculated Property |
| Pc | 1482.71 | kPa | Joback Calculated Property |
| Tboil | 841.18 | K | Joback Calculated Property |
| Tc | 1064.91 | K | Joback Calculated Property |
| Tfus | 482.59 | K | Joback Calculated Property |
| Vc | 1.077 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [898.37; 986.39] | J/mol×K | [841.18; 1064.91] | 
|
| Cp,gas | 898.37 | J/mol×K | 841.18 | Joback Calculated Property |
| Cp,gas | 916.02 | J/mol×K | 878.47 | Joback Calculated Property |
| Cp,gas | 932.33 | J/mol×K | 915.76 | Joback Calculated Property |
| Cp,gas | 947.42 | J/mol×K | 953.04 | Joback Calculated Property |
| Cp,gas | 961.38 | J/mol×K | 990.33 | Joback Calculated Property |
| Cp,gas | 974.34 | J/mol×K | 1027.62 | Joback Calculated Property |
| Cp,gas | 986.39 | J/mol×K | 1064.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanol, 4-dimethylamino-3-methyl-1,2-diphenyl-, propionate.
Sources
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