- InChI
- InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,9-16H2,1H3,(H,18,19)/b8-7-
- InChI Key
- GDTXICBNEOEPAZ-FPLPWBNLSA-N
- Formula
- C17H32O2
- SMILES
- CCCCCCC=CCCCCCCCCC(=O)O
- Molecular Weight1
- 268.43
- CAS
- 29743-97-3
- 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 | 0.9946 | Relay (1.0) Calculated Property | |
| ΔfG° | -171.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -684.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.718 | Crippen Calculated Property | |
| McVol | 253.530 | ml/mol | McGowan Calculated Property |
| Pc | 1362.64 | kPa | Joback Calculated Property |
| Inp | 2073.20 | NIST | |
| Tboil | 599.35 | K | Relay (1.0) Calculated Property |
| Tc | 799.26 | K | Relay (1.0) Calculated Property |
| Tfus | 309.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.954 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [365.73; 876.57] | 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 | -2.21470e+01 | |||
| Coefficient B | 1.68962e+00 | |||
| Coefficient C | -1.05740e-03 | |||
| Coefficient D | 2.66500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 365.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 455.06 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 534.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 604.23 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 665.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 719.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 766.92 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 808.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 844.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 876.57 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010108; 0.0001434] | Pa×s | [436.87; 643.59] |
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 | -1.29774e+01 | |||
| Coefficient B | 2.65634e+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. | 436.87 | |||
| Temperature range, max. | 643.59 | |||
| η | 0.0010108 | Pa×s | 436.87 | Calculated Property |
| η | 0.0007461 | Pa×s | 459.84 | Calculated Property |
| η | 0.0005668 | Pa×s | 482.81 | Calculated Property |
| η | 0.0004415 | Pa×s | 505.78 | Calculated Property |
| η | 0.0003514 | Pa×s | 528.75 | Calculated Property |
| η | 0.0002851 | Pa×s | 551.72 | Calculated Property |
| η | 0.0002352 | Pa×s | 574.69 | Calculated Property |
| η | 0.0001969 | Pa×s | 597.66 | Calculated Property |
| η | 0.0001670 | Pa×s | 620.63 | Calculated Property |
| η | 0.0001434 | Pa×s | 643.59 | Calculated Property |
Similar Compounds
Find more compounds similar to cis-10-Heptadecenoic acid.
Sources
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