- InChI
- InChI=1S/C23H34O2/c1-16(2)20-14-21(18-10-6-4-7-11-18)23(25-17(3)24)22(15-20)19-12-8-5-9-13-19/h14-16,18-19H,4-13H2,1-3H3
- InChI Key
- PINPBOZUOFWMBF-UHFFFAOYSA-N
- Formula
- C23H34O2
- SMILES
-
CC(=O)Oc1c(C2CCCCC2)cc(C(C)C)c
c1C1CCCCC1 - Molecular Weight1
- 342.51
- CAS
- 116659-39-3
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.7094 | Relay (1.0) Calculated Property | |
| ΔfG° | 38.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -583.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.831 | Crippen Calculated Property | |
| McVol | 296.890 | ml/mol | McGowan Calculated Property |
| Pc | 1396.46 | kPa | Joback Calculated Property |
| Tboil | 676.27 | K | Relay (1.0) Calculated Property |
| Tc | 914.01 | K | Relay (1.0) Calculated Property |
| Tfus | 353.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.076 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [999.88; 1097.41] | J/mol×K | [882.21; 1120.17] | 
|
| Cp,gas | 999.88 | J/mol×K | 882.21 | Joback Calculated Property |
| Cp,gas | 1020.86 | J/mol×K | 921.87 | Joback Calculated Property |
| Cp,gas | 1039.87 | J/mol×K | 961.53 | Joback Calculated Property |
| Cp,gas | 1056.97 | J/mol×K | 1001.19 | Joback Calculated Property |
| Cp,gas | 1072.21 | J/mol×K | 1040.85 | Joback Calculated Property |
| Cp,gas | 1085.67 | J/mol×K | 1080.51 | Joback Calculated Property |
| Cp,gas | 1097.41 | J/mol×K | 1120.17 | Joback Calculated Property |
| η | [0.0000505; 0.0008276] | Pa×s | [484.87; 882.21] |
|
| η | 0.0008276 | Pa×s | 484.87 | Joback Calculated Property |
| η | 0.0003925 | Pa×s | 551.09 | Joback Calculated Property |
| η | 0.0002184 | Pa×s | 617.32 | Joback Calculated Property |
| η | 0.0001362 | Pa×s | 683.54 | Joback Calculated Property |
| η | 0.0000923 | Pa×s | 749.76 | Joback Calculated Property |
| η | 0.0000666 | Pa×s | 815.99 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 882.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dicyclohexyl-4-isopropylphenyl acetate.
Sources
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