- InChI
- InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)
- InChI Key
- KEMQGTRYUADPNZ-UHFFFAOYSA-N
- Formula
- C17H34O2
- SMILES
- CCCCCCCCCCCCCCCCC(=O)O
- Molecular Weight1
- 270.45
- CAS
- 506-12-7
- Other Names
-
- Margarinic acid
- N-MARGARIC ACID
- Normal-heptadecanoic acid
- margaric acid
- n-Heptadecanoic acid
- n-Heptadecoic acid
- n-Heptadecylic acid
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 1.0754 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -10624.40 ± 1.70 | kJ/mol | NIST |
| ΔfG° | -251.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -754.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 121.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.942 | Crippen Calculated Property | |
| McVol | 257.830 | ml/mol | McGowan Calculated Property |
| Pc | 1393.90 ± 85.00 | kPa | NIST |
| Inp | [337.00; 2086.00] |
|
|
| Inp | 2080.00 | NIST | |
| Inp | 2086.00 | NIST | |
| Inp | 2038.00 | NIST | |
| Inp | 2039.00 | NIST | |
| Inp | 2038.00 | NIST | |
| Inp | 2069.00 | NIST | |
| Inp | 2068.00 | NIST | |
| Inp | 2070.00 | NIST | |
| Inp | 2071.00 | NIST | |
| Inp | 2080.00 | NIST | |
| Inp | 2065.00 | NIST | |
| Inp | 2047.00 | NIST | |
| Inp | 2044.00 | NIST | |
| Inp | 2059.00 | NIST | |
| Inp | 2039.00 | NIST | |
| Inp | 2077.00 | NIST | |
| Inp | 2022.00 | NIST | |
| Inp | 2077.00 | NIST | |
| Inp | Outlier 351.50 | NIST | |
| Inp | Outlier 351.70 | NIST | |
| Inp | Outlier 337.00 | NIST | |
| Inp | 2039.00 | NIST | |
| I | [2968.00; 3027.00] |
|
|
| I | 3027.00 | NIST | |
| I | 2974.00 | NIST | |
| I | 2981.00 | NIST | |
| I | 2975.00 | NIST | |
| I | 2968.00 | NIST | |
| I | 2979.00 | NIST | |
| I | 2974.00 | NIST | |
| I | 3027.00 | NIST | |
| I | 2975.00 | NIST | |
| Tboil | 595.33 | K | Relay (1.0) Calculated Property |
| Tc | 795.08 ± 3.00 | K | NIST |
| Tfus | [323.40; 334.40] | K |
|
| Tfus | 334.15 ± 0.35 | K | NIST |
| Tfus | 333.00 ± 0.30 | K | NIST |
| Tfus | 333.00 ± 0.30 | K | NIST |
| Tfus | 333.00 ± 0.40 | K | NIST |
| Tfus | 334.40 ± 0.05 | K | NIST |
| Tfus | Outlier 323.40 ± 2.00 | K | NIST |
| Tfus | 332.80 ± 2.00 | K | NIST |
| Tfus | 333.00 ± 3.00 | K | NIST |
| Ttriple | [334.25; 334.25] | K |
|
| Ttriple | 334.25 ± 0.02 | K | NIST |
| Ttriple | 334.25 ± 0.02 | K | NIST |
| Vc | 1.012 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 475.74 | J/mol×K | 298.15 | NIST |
| ΔfusH | [7.44; 51.90] | kJ/mol | [329.20; 334.30] |
|
| ΔfusH | 7.44 | kJ/mol | 329.20 | NIST |
| ΔfusH | 51.90 | kJ/mol | 333.00 | NIST |
| ΔfusH | 46.50 | kJ/mol | 333.50 | NIST |
| ΔfusH | 51.33 | kJ/mol | 334.30 | NIST |
| ΔfusH | 51.33 | kJ/mol | 334.30 | NIST |
| ΔsubH | [151.00; 168.00] | kJ/mol | [291.00; 303.50] |
|
| ΔsubH | 151.00 | kJ/mol | 291.00 | NIST |
| ΔsubH | 168.00 | kJ/mol | 303.50 | NIST |
| ΔvapH | [100.70; 127.30] | kJ/mol | [298.00; 543.00] |
|
| ΔvapH | 127.30 | kJ/mol | 298.00 | Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids |
| ΔvapH | 112.70 ± 2.00 | kJ/mol | 369.50 | NIST |
| ΔvapH | 100.70 | kJ/mol | 543.00 | NIST |
| ΔfusS | [22.59; 153.55] | J/mol×K | [329.20; 334.30] |
|
| ΔfusS | 22.59 | J/mol×K | 329.20 | NIST |
| ΔfusS | 153.55 | J/mol×K | 334.30 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 500.20 | K | 13.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.74; 907.15] | 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 | -7.96500e+00 | |||
| Coefficient B | 1.66962e+00 | |||
| Coefficient C | -9.73600e-04 | |||
| Coefficient D | 2.19100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 379.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 470.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 551.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 623.87 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 687.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 744.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 793.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 836.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 874.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 907.16 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0078783; 0.0003133] | Pa×s | [333.34; 556.56] |
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 | -1.28839e+01 | |||
| Coefficient B | 2.68010e+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. | 333.34 | |||
| Temperature range, max. | 556.56 | |||
| η | 0.0078783 | Pa×s | 333.34 | Calculated Property |
| η | 0.0045145 | Pa×s | 358.14 | Calculated Property |
| η | 0.0027804 | Pa×s | 382.94 | Calculated Property |
| η | 0.0018165 | Pa×s | 407.74 | Calculated Property |
| η | 0.0012461 | Pa×s | 432.54 | Calculated Property |
| η | 0.0008904 | Pa×s | 457.35 | Calculated Property |
| η | 0.0006587 | Pa×s | 482.15 | Calculated Property |
| η | 0.0005019 | Pa×s | 506.95 | Calculated Property |
| η | 0.0003922 | Pa×s | 531.75 | Calculated Property |
| η | 0.0003133 | Pa×s | 556.56 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [491.56; 663.87] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.61967e+01 | |||
| Coefficient B | -5.93946e+03 | |||
| Coefficient C | -1.18222e+02 | |||
| Temperature range, min. | 491.56 | |||
| Temperature range, max. | 663.87 | |||
| Pvap | 1.33 | kPa | 491.56 | Calculated Property |
| Pvap | 2.90 | kPa | 510.71 | Calculated Property |
| Pvap | 5.86 | kPa | 529.85 | Calculated Property |
| Pvap | 11.12 | kPa | 549.00 | Calculated Property |
| Pvap | 20.00 | kPa | 568.14 | Calculated Property |
| Pvap | 34.27 | kPa | 587.29 | Calculated Property |
| Pvap | 56.31 | kPa | 606.43 | Calculated Property |
| Pvap | 89.12 | kPa | 625.58 | Calculated Property |
| Pvap | 136.42 | kPa | 644.72 | Calculated Property |
| Pvap | 202.66 | kPa | 663.87 | Calculated Property |
| Pvap | [0.13; 102.74] | kPa | [449.15; 637.15] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 5.21328e+02 | |||
| Coefficient B | -3.99733e+04 | |||
| Coefficient C | -7.20295e+01 | |||
| Coefficient D | 2.74316e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 449.15 | |||
| Temperature range, max. | 637.15 | |||
| Pvap | 0.13 | kPa | 449.15 | Calculated Property |
| Pvap | 0.43 | kPa | 470.04 | Calculated Property |
| Pvap | 1.22 | kPa | 490.93 | Calculated Property |
| Pvap | 2.99 | kPa | 511.82 | Calculated Property |
| Pvap | 6.53 | kPa | 532.71 | Calculated Property |
| Pvap | 12.92 | kPa | 553.59 | Calculated Property |
| Pvap | 23.65 | kPa | 574.48 | Calculated Property |
| Pvap | 40.54 | kPa | 595.37 | Calculated Property |
| Pvap | 65.92 | kPa | 616.26 | Calculated Property |
| Pvap | 102.74 | kPa | 637.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecanoic acid.
Sources
- KDB Vapor Pressure Data
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Vapor Pressures and Vaporization, Sublimation, and Fusion Enthalpies of Some Fatty Acids
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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