- InChI
- InChI=1S/C12H18O2/c1-7-10-5-9(12(10,3)4)6-11(7)14-8(2)13/h9-11H,1,5-6H2,2-4H3/t9-,10+,11-/m1/s1
- InChI Key
- UDBAGFUFASPUFS-OUAUKWLOSA-N
- Formula
- C12H18O2
- SMILES
- C=C1C(OC(C)=O)CC2CC1C2(C)C
- Molecular Weight1
- 194.27
- CAS
- 73366-18-4
- 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° | -42.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.85 | kJ/mol | Joback Calculated Property |
| log10WS | -2.74 | Crippen Calculated Property | |
| logPoct/wat | 2.540 | Crippen Calculated Property | |
| McVol | 161.360 | ml/mol | McGowan Calculated Property |
| Pc | 2400.57 | kPa | Joback Calculated Property |
| Inp | [1258.00; 1258.00] |
|
|
| Inp | 1258.00 | NIST | |
| Inp | 1258.00 | NIST | |
| Tboil | 558.06 | K | Joback Calculated Property |
| Tc | 767.19 | K | Joback Calculated Property |
| Tfus | 358.62 | K | Joback Calculated Property |
| Vc | 0.618 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [418.91; 511.38] | J/mol×K | [558.06; 767.19] |
|
| Cp,gas | 418.91 | J/mol×K | 558.06 | Joback Calculated Property |
| Cp,gas | 436.52 | J/mol×K | 592.92 | Joback Calculated Property |
| Cp,gas | 453.10 | J/mol×K | 627.77 | Joback Calculated Property |
| Cp,gas | 468.76 | J/mol×K | 662.63 | Joback Calculated Property |
| Cp,gas | 483.62 | J/mol×K | 697.48 | Joback Calculated Property |
| Cp,gas | 497.79 | J/mol×K | 732.34 | Joback Calculated Property |
| Cp,gas | 511.38 | J/mol×K | 767.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-Pinocarvyl acetate.
Sources
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