- InChI
- InChI=1S/C12H18O2/c1-7(2)12-6-10(12)8(3)5-11(12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3
- InChI Key
- ITQLVLWNPZVVMT-UHFFFAOYSA-N
- Formula
- C12H18O2
- SMILES
- C=C1CC(OC(C)=O)C2(C(C)C)CC12
- Molecular Weight1
- 194.27
- CAS
- 95875-05-1
- 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 | 0.4099 | Relay (1.0) Calculated Property | |
| ΔfG° | -24.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -317.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.540 | Crippen Calculated Property | |
| McVol | 161.360 | ml/mol | McGowan Calculated Property |
| Pc | 2438.65 | kPa | Joback Calculated Property |
| Inp | [1272.40; 1273.00] |
|
|
| Inp | 1272.40 | NIST | |
| Inp | 1273.00 | NIST | |
| Tboil | 479.74 | K | Relay (1.0) Calculated Property |
| Tc | 718.70 | K | Relay (1.0) Calculated Property |
| Tfus | 244.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.538 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.14; 504.33] | J/mol×K | [558.02; 764.52] |
|
| Cp,gas | 417.14 | J/mol×K | 558.02 | Joback Calculated Property |
| Cp,gas | 433.79 | J/mol×K | 592.44 | Joback Calculated Property |
| Cp,gas | 449.43 | J/mol×K | 626.85 | Joback Calculated Property |
| Cp,gas | 464.18 | J/mol×K | 661.27 | Joback Calculated Property |
| Cp,gas | 478.16 | J/mol×K | 695.68 | Joback Calculated Property |
| Cp,gas | 491.51 | J/mol×K | 730.10 | Joback Calculated Property |
| Cp,gas | 504.33 | J/mol×K | 764.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Thujen-2-«alpha»-yl acetate.
Sources
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