- InChI
- InChI=1S/C12H20O2/c1-9(2)12(14-11(4)13)7-5-10(3)6-8-12/h5,9H,6-8H2,1-4H3
- InChI Key
- BFCBRSFYYLSTAA-UHFFFAOYSA-N
- Formula
- C12H20O2
- SMILES
- CC(=O)OC1(C(C)C)CC=C(C)CC1
- Molecular Weight1
- 196.29
- 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° | -146.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -425.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.31 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 3.075 | Crippen Calculated Property | |
| McVol | 172.220 | ml/mol | McGowan Calculated Property |
| Pc | 2391.19 | kPa | Joback Calculated Property |
| Inp | [1291.00; 1291.00] |
|
|
| Inp | 1291.00 | NIST | |
| Inp | 1291.00 | NIST | |
| Tboil | 573.74 | K | Joback Calculated Property |
| Tc | 788.23 | K | Joback Calculated Property |
| Tfus | 326.72 | K | Joback Calculated Property |
| Vc | 0.642 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [434.00; 528.89] | J/mol×K | [573.74; 788.23] |
|
| Cp,gas | 434.00 | J/mol×K | 573.74 | Joback Calculated Property |
| Cp,gas | 451.97 | J/mol×K | 609.49 | Joback Calculated Property |
| Cp,gas | 468.96 | J/mol×K | 645.24 | Joback Calculated Property |
| Cp,gas | 485.04 | J/mol×K | 680.99 | Joback Calculated Property |
| Cp,gas | 500.33 | J/mol×K | 716.73 | Joback Calculated Property |
| Cp,gas | 514.91 | J/mol×K | 752.48 | Joback Calculated Property |
| Cp,gas | 528.89 | J/mol×K | 788.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terpinen-4-yl acetate.
Sources
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