- InChI
- InChI=1S/C19H36O/c1-4-5-6-7-8-9-10-11-15-18-19(20-18)16-13-12-14-17(2)3/h4,17-19H,1,5-16H2,2-3H3
- InChI Key
- VEHBXHNRALNERE-UHFFFAOYSA-N
- Formula
- C19H36O
- SMILES
- C=CCCCCCCCCC1OC1CCCCC(C)C
- Molecular Weight1
- 280.49
- Other Names
-
- cis-7,8-epoxy-2-methyl-17-octadecene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 47.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 6.277 | Crippen Calculated Property | |
| McVol | 269.280 | ml/mol | McGowan Calculated Property |
| Inp | [2020.00; 2027.00] |
|
|
| Inp | 2027.00 | NIST | |
| Inp | 2020.00 | NIST | |
| Inp | 2027.00 | NIST | |
| Ip | [2304.00; 2304.00] |
|
|
| Ip | 2304.00 | NIST | |
| Ip | 2304.00 | NIST | |
| Tboil | 604.64 | K | Relay (1.0) Calculated Property |
| Tc | 771.52 | K | Relay (1.0) Calculated Property |
| Tfus | 292.32 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.60; 977.50] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.60380e+01 | |||
| Coefficient B | 1.91614e+00 | |||
| Coefficient C | -1.18680e-03 | |||
| Coefficient D | 2.94200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 394.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 496.34 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 586.66 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 666.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 736.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 798.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 852.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 899.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 941.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 977.50 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031939; 0.0004107] | Pa×s | [327.40; 581.87] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.04364e+01 | |||
| Coefficient B | 1.53548e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 327.40 | |||
| Temperature range, max. | 581.87 | |||
| η | 0.0031939 | Pa×s | 327.40 | Calculated Property |
| η | 0.0021999 | Pa×s | 355.67 | Calculated Property |
| η | 0.0016008 | Pa×s | 383.95 | Calculated Property |
| η | 0.0012168 | Pa×s | 412.22 | Calculated Property |
| η | 0.0009580 | Pa×s | 440.50 | Calculated Property |
| η | 0.0007764 | Pa×s | 468.77 | Calculated Property |
| η | 0.0006444 | Pa×s | 497.05 | Calculated Property |
| η | 0.0005457 | Pa×s | 525.32 | Calculated Property |
| η | 0.0004700 | Pa×s | 553.59 | Calculated Property |
| η | 0.0004107 | Pa×s | 581.87 | Calculated Property |
Similar Compounds
Find more compounds similar to (7R,8S)-cis-7,8-epoxy-2-methyloctadec-17-ene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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