- InChI
- InChI=1S/C20H34O2/c1-5-6-7-8-9-10-11-12-19(21)22-18-14-16-13-17(15(18)2)20(16,3)4/h16-18H,2,5-14H2,1,3-4H3
- InChI Key
- UAQXIEIGKOSXLQ-UHFFFAOYSA-N
- Formula
- C20H34O2
- SMILES
-
C=C1C(OC(=O)CCCCCCCCC)CC2CC1C2
(C)C - Molecular Weight1
- 306.48
- 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 | 0.7194 | Relay (1.0) Calculated Property | |
| ΔfG° | 25.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.661 | Crippen Calculated Property | |
| McVol | 274.080 | ml/mol | McGowan Calculated Property |
| Pc | 1267.35 | kPa | Joback Calculated Property |
| Inp | [2093.10; 2093.10] |
|
|
| Inp | 2093.10 | NIST | |
| Inp | 2093.10 | NIST | |
| Tboil | 596.23 | K | Relay (1.0) Calculated Property |
| Tc | 846.07 | K | Relay (1.0) Calculated Property |
| Tfus | 298.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.984 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [856.94; 971.59] | J/mol×K | [741.10; 932.25] |
|
| Cp,gas | 856.94 | J/mol×K | 741.10 | Joback Calculated Property |
| Cp,gas | 877.71 | J/mol×K | 772.96 | Joback Calculated Property |
| Cp,gas | 897.67 | J/mol×K | 804.82 | Joback Calculated Property |
| Cp,gas | 916.93 | J/mol×K | 836.67 | Joback Calculated Property |
| Cp,gas | 935.60 | J/mol×K | 868.53 | Joback Calculated Property |
| Cp,gas | 953.79 | J/mol×K | 900.39 | Joback Calculated Property |
| Cp,gas | 971.59 | J/mol×K | 932.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Pinocarvyl caprate.
Sources
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