- InChI
- InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-18-27(6)19-17-24-23(5)25(28)15-16-26(24)29-27/h10,12,14-16,28H,7-9,11,13,17-19H2,1-6H3/b21-12+,22-14+/t27-/m0/s1
- InChI Key
- NWELWDHWNAURGA-NDZYPVAJSA-N
- Formula
- C27H40O2
- SMILES
-
CC(C)=CCCC(C)=CCCC(C)=CCCC1(C)
CCc2c(ccc(O)c2C)O1 - Molecular Weight1
- 396.61
- 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 | 0.8440 | Relay (1.0) Calculated Property | |
| ΔfG° | 287.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -462.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.984 | Crippen Calculated Property | |
| McVol | 355.510 | ml/mol | McGowan Calculated Property |
| Pc | 1112.59 | kPa | Joback Calculated Property |
| Inp | 3060.00 | NIST | |
| Tboil | 688.33 | K | Relay (1.0) Calculated Property |
| Tc | 928.87 | K | Relay (1.0) Calculated Property |
| Tfus | 365.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.241 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1215.39; 1394.38] | J/mol×K | [984.74; 1214.90] | 
|
| Cp,gas | 1215.39 | J/mol×K | 984.74 | Joback Calculated Property |
| Cp,gas | 1242.04 | J/mol×K | 1023.10 | Joback Calculated Property |
| Cp,gas | 1269.54 | J/mol×K | 1061.46 | Joback Calculated Property |
| Cp,gas | 1298.21 | J/mol×K | 1099.82 | Joback Calculated Property |
| Cp,gas | 1328.37 | J/mol×K | 1138.18 | Joback Calculated Property |
| Cp,gas | 1360.32 | J/mol×K | 1176.54 | Joback Calculated Property |
| Cp,gas | 1394.38 | J/mol×K | 1214.90 | Joback Calculated Property |
Similar Compounds
![2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-, 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)
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