- InChI
- InChI=1S/C17H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h10-11H,3-9,12-16H2,1-2H3/b11-10+
- InChI Key
- FXCDESKKWMGGON-ZHACJKMWSA-N
- Formula
- C17H32O2
- SMILES
- CCCCCCCCC=CCCCCCC(=O)OC
- Molecular Weight1
- 268.43
- CAS
- 56875-67-3
- Other Names
-
- (Z)-Methyl hexadec-7-enoate
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 0.7769 | Relay (1.0) Calculated Property | |
| ΔfG° | -137.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -639.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.417 | Crippen Calculated Property | |
| McVol | 253.530 | ml/mol | McGowan Calculated Property |
| Pc | 1281.91 | kPa | Joback Calculated Property |
| Inp | [1899.60; 1899.60] |
|
|
| Inp | 1899.60 | NIST | |
| Inp | 1899.60 | NIST | |
| Tboil | 567.73 | K | Relay (1.0) Calculated Property |
| Tc | 752.73 | K | Relay (1.0) Calculated Property |
| Tfus | 267.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [368.45; 873.90] | 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 | -1.33800e+00 | |||
| Coefficient B | 1.58404e+00 | |||
| Coefficient C | -8.90200e-04 | |||
| Coefficient D | 1.81400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 368.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 455.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 533.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 603.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 665.02 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 719.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 766.71 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 807.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 843.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 873.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032209; 0.0001335] | Pa×s | [318.60; 574.45] |
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 | -1.28854e+01 | |||
| Coefficient B | 2.27712e+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. | 318.60 | |||
| Temperature range, max. | 574.45 | |||
| η | 0.0032209 | Pa×s | 318.60 | Calculated Property |
| η | 0.0017935 | Pa×s | 347.03 | Calculated Property |
| η | 0.0010913 | Pa×s | 375.45 | Calculated Property |
| η | 0.0007121 | Pa×s | 403.88 | Calculated Property |
| η | 0.0004915 | Pa×s | 432.31 | Calculated Property |
| η | 0.0003551 | Pa×s | 460.74 | Calculated Property |
| η | 0.0002665 | Pa×s | 489.16 | Calculated Property |
| η | 0.0002064 | Pa×s | 517.59 | Calculated Property |
| η | 0.0001641 | Pa×s | 546.02 | Calculated Property |
| η | 0.0001335 | Pa×s | 574.45 | Calculated Property |
Similar Compounds
Find more compounds similar to 7-Hexadecenoic acid, methyl ester, (Z)-.
Sources
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