- InChI
- InChI=1S/C11H16O2/c1-7-9-4-8(11(9,2)3)5-10(7)13-6-12/h6,8-10H,1,4-5H2,2-3H3
- InChI Key
- WMHHHHLDOCHBEV-UHFFFAOYSA-N
- Formula
- C11H16O2
- SMILES
- C=C1C(OC=O)CC2CC1C2(C)C
- Molecular Weight1
- 180.24
- 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 | 0.3861 | Relay (1.0) Calculated Property | |
| ΔfG° | -21.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.150 | Crippen Calculated Property | |
| McVol | 147.270 | ml/mol | McGowan Calculated Property |
| Pc | 2673.54 | kPa | Joback Calculated Property |
| Inp | [1212.00; 1249.00] |
|
|
| Inp | 1212.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Inp | 1212.00 | NIST | |
| Inp | 1249.00 | NIST | |
| Tboil | 487.00 | K | Relay (1.0) Calculated Property |
| Tc | 741.93 | K | Relay (1.0) Calculated Property |
| Tfus | 285.35 | K | Relay (1.0) Calculated Property |
| Vc | 0.479 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.07; 457.75] | J/mol×K | [529.97; 737.39] |
|
| Cp,gas | 371.07 | J/mol×K | 529.97 | Joback Calculated Property |
| Cp,gas | 387.70 | J/mol×K | 564.54 | Joback Calculated Property |
| Cp,gas | 403.32 | J/mol×K | 599.11 | Joback Calculated Property |
| Cp,gas | 418.02 | J/mol×K | 633.68 | Joback Calculated Property |
| Cp,gas | 431.92 | J/mol×K | 668.25 | Joback Calculated Property |
| Cp,gas | 445.12 | J/mol×K | 702.82 | Joback Calculated Property |
| Cp,gas | 457.75 | J/mol×K | 737.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Pinocarvyl formate.
Sources
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