- InChI
- InChI=1S/C22H38O2/c1-5-6-7-8-9-10-11-12-13-14-21(23)24-20-16-18-15-19(17(20)2)22(18,3)4/h18-20H,2,5-16H2,1,3-4H3
- InChI Key
- BQJZDGHPWPPVLY-UHFFFAOYSA-N
- Formula
- C22H38O2
- SMILES
-
C=C1C(OC(=O)CCCCCCCCCCC)CC2CC1
C2(C)C - Molecular Weight1
- 334.54
- 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 | 0.7951 | Relay (1.0) Calculated Property | |
| ΔfG° | 42.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.90 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.441 | Crippen Calculated Property | |
| McVol | 302.260 | ml/mol | McGowan Calculated Property |
| Pc | 1110.37 | kPa | Joback Calculated Property |
| Inp | [2302.20; 2302.20] |
|
|
| Inp | 2302.20 | NIST | |
| Inp | 2302.20 | NIST | |
| Tboil | 613.87 | K | Relay (1.0) Calculated Property |
| Tc | 865.21 | K | Relay (1.0) Calculated Property |
| Tfus | 303.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.094 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [978.43; 1098.79] | J/mol×K | [786.86; 977.82] |
|
| Cp,gas | 978.43 | J/mol×K | 786.86 | Joback Calculated Property |
| Cp,gas | 1000.01 | J/mol×K | 818.69 | Joback Calculated Property |
| Cp,gas | 1020.83 | J/mol×K | 850.51 | Joback Calculated Property |
| Cp,gas | 1041.01 | J/mol×K | 882.34 | Joback Calculated Property |
| Cp,gas | 1060.66 | J/mol×K | 914.17 | Joback Calculated Property |
| Cp,gas | 1079.88 | J/mol×K | 946.00 | Joback Calculated Property |
| Cp,gas | 1098.79 | J/mol×K | 977.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-Pinocarvyl laureate.
Sources
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