- InChI
- InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3/t11-,12+
- InChI Key
- URVNHQCLMBMWIW-TXEJJXNPSA-N
- Formula
- C12H20O2
- SMILES
- C=C(C)C1CCC(C)(OC(C)=O)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° | -93.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -370.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.84 | 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 | 2356.49 | kPa | Joback Calculated Property |
| Inp | 1350.00 | NIST | |
| Tboil | 561.93 | K | Joback Calculated Property |
| Tc | 777.04 | K | Joback Calculated Property |
| Tfus | 308.48 | K | Joback Calculated Property |
| Vc | 0.643 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [433.60; 534.10] | J/mol×K | [561.93; 777.04] | 
|
| Cp,gas | 433.60 | J/mol×K | 561.93 | Joback Calculated Property |
| Cp,gas | 452.75 | J/mol×K | 597.78 | Joback Calculated Property |
| Cp,gas | 470.80 | J/mol×K | 633.63 | Joback Calculated Property |
| Cp,gas | 487.86 | J/mol×K | 669.48 | Joback Calculated Property |
| Cp,gas | 504.03 | J/mol×K | 705.33 | Joback Calculated Property |
| Cp,gas | 519.41 | J/mol×K | 741.19 | Joback Calculated Property |
| Cp,gas | 534.10 | J/mol×K | 777.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-terpenyl acetate.
Sources
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