Octadecanoic acid
- Formula: C18H36O2
- Molecular weight: 284.4772
- IUPAC Standard InChIKey: QIQXTHQIDYTFRH-UHFFFAOYSA-N
- CAS Registry Number: 57-11-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Stearic acid; n-Octadecanoic acid; Humko Industrene R; Hydrofol Acid 150; Hystrene S-97; Hystrene T-70; Hystrene 80; Industrene R; Kam 1000; Kam 2000; Kam 3000; Neo-Fat 18; Neo-Fat 18-53; Neo-Fat 18-54; Neo-Fat 18-55; Neo-Fat 18-59; NAA 173; PD 185; Stearex Beads; Stearophanic acid; Steric acid; Vanicol; 1-Heptadecanecarboxylic acid; Heptadecanecarboxylic acid; Neo-fat 18-61; Pearl stearic; Century 1240; Dar-chem 14; Emersol 120; Emersol 132; Emersol 150; Formula 300; Glycon DP; Glycon TP; Glycon S-70; Glycon S-80; Glycon S-90; Groco 54; Groco 55; Groco 55L; Groco 58; Groco 59; Hy-phi 1199; Hy-phi 1205; Hy-phi 1303; Hy-phi 1401; Hydrofol acid 1655; Hydrofol acid 1855; Hydrofol 1895; Hystrene 4516; Hystrene 5016; Hystrene 7018; Hystrene 9718; Industrene 5016; Neo-Fat 18-S; Tegostearic 254; Tegostearic 255; Tegostearic 272; Cetylacetic acid; Industrene 8718; Industrene 9018; Barolub FTA; Loxiol G 20; Lunac S 20; Emersol 153; Century 1210; Century 1220; Century 1230; Emersol 6349; Hystrene 7018 FG; Hystrene 9718 NF FG; Industrene 4518; Industrene 7018 FG; n-Octadecylic acid; Pristerene 4904; Promulsin; Proviscol wax; Stearex; Tsubaki; Vis-Plus; Prifac 2918; Adeka Fatty Acid SA 910; Century 1224; Edenor C18; Hydrofol Acid 1895; Kiri stearic acid; Lunac S 40; SA 400 (fatty acid); WO 2 (fatty acid); Octadecanoic acid (stearic acid); Emersol 110 (Salt/Mix); Emery 400 (Salt/Mix)
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Condensed phase thermochemistry data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -213.1 ± 0.5 | kcal/mol | Ccb | Lebedeva, 1964 | Hfusion =10.81±0.10 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2696.01 ± 0.45 | kcal/mol | Ccb | Adriaanse, Dekker, et al., 1965 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2695.84 ± 0.45 kcal/mol; Hfusion=63.0 kJ/mol; Corresponding ΔfHºliquid = -226.6 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -2709.57 ± 0.51 | kcal/mol | Ccb | Lebedeva, 1964 | Hfusion =10.81±0.10 kcal/mol; Corresponding ΔfHºliquid = -213.02 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔfH°solid | -218.0 ± 2.7 | kcal/mol | Ccb | Medard and Thomas, 1952 | Reanalyzed by Cox and Pilcher, 1970, Original value = -214.6 kcal/mol; Author's hf291_condensed=-223.8 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -2698.564 | kcal/mol | Ccb | Shkaraputa, Danilenko, et al., 1984 | Corresponding ΔfHºsolid = -224.03 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -2693.9 ± 3.2 | kcal/mol | Ccb | Swain, Silbert, et al., 1964 | Corresponding ΔfHºsolid = -228.7 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -2704.6 ± 2.7 | kcal/mol | Ccb | Medard and Thomas, 1952 | Reanalyzed by Cox and Pilcher, 1970, Original value = -2708.40 kcal/mol; Author's hf291_condensed=-223.8 kcal/mol; Corresponding ΔfHºsolid = -217.99 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°solid | -2700.3 | kcal/mol | Ccb | Emery and Benedict, 1911 | Corresponding ΔfHºsolid = -222. kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 104.1 | cal/mol*K | N/A | Singleton, Ward, et al., 1950 | Extrapolation below 90 K, 64.4 J/mol*K.; DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
119.87 | 298.15 | Schaake, van Miltenburg, et al., 1982 | T = 80 to 355 K.; DH |
134.3 | 298.15 | Singleton, Ward, et al., 1950 | T = 154 to 350 K.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 634.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 631.15 | K | N/A | Krafft, 1880 | Uncertainty assigned by TRC = 5. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 341. ± 3. | K | AVG | N/A | Average of 31 out of 32 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 342.49 | K | N/A | Schaake, van Miltenburg, et al., 1982, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 341.85 | K | N/A | Spizzichino, 1956 | Uncertainty assigned by TRC = 0.5 K; TRC |
Ttriple | 342.65 | K | N/A | Singleton, Ward, et al., 1950, 2 | Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 4.2105×10-8 | atm | N/A | Spizzichino, 1956 | Uncertainty assigned by TRC = 1.9736×10-8 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 805.09 | K | N/A | D'Souza and Teja, 1987 | Uncertainty assigned by TRC = 3.5 K; Ambrose's procedure; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 13.0923 | atm | N/A | D'Souza and Teja, 1987 | Uncertainty assigned by TRC = 0.84 atm; Ambrose's procedure; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 49. ± 2. | kcal/mol | TPD | Cappa, Lovejoy, et al., 2008 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.71 | 364. | A | Stephenson and Malanowski, 1987 | Based on data from 349. to 415. K.; AC |
24.04 | 472. | A | Stephenson and Malanowski, 1987 | Based on data from 457. to 649. K.; AC |
28.42 ± 0.48 | 379. | ME,TE | de Kruif, Schaake, et al., 1982 | Based on data from 366. to 389. K.; AC |
19.1 | 515. | I | Cramer, 1943 | AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
446.9 to 643. | 5.71973 | 3348.131 | -57.825 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
37.88 | 291. to 309. | TPTD | Chattopadhyay and Ziemann, 2005 | AC |
37.8 | 296. to 319. | TPTD | Chattopadhyay, Tobias, et al., 2001 | Experimental values based on the TPTD method are often inconsistent with values determined using other experimental methods; AC |
39.8 ± 1.0 | 336. | ME | Davies and Malpass, 1961 | Based on data from 331. to 340. K. See also Cox and Pilcher, 1970, 2.; AC |
39.8 ± 1.0 | 330.89 | V | Davies and Malpass, 1961, 2 | ALS |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.651 | 342.75 | N/A | Sato, Yoshimoto, et al., 1990 | DH |
14.4 | 338.3 | N/A | Moore, Koelmel, et al., 2007 | AC |
15.1 | 342.8 | DSC | Moreno, Cordobilla, et al., 2007 | AC |
13.8 | 344.1 | DSC | Teixeira, Gonçalves da Silva, et al., 2006 | AC |
12.17 | 340.2 | AC | Yu, Meng, et al., 2000 | AC |
14.63 | 342.5 | N/A | Domalski and Hearing, 1996 | AC |
16.360 | 342.65 | N/A | Singleton, Ward, et al., 1950 | DH |
15.450 | 326.1 | N/A | Eykman, 1889 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
42.73 | 342.75 | Sato, Yoshimoto, et al., 1990 | DH |
477.5 | 342.65 | Singleton, Ward, et al., 1950 | DH |
47.3 | 326.1 | Eykman, 1889 | DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
14.629 | 342.49 | crystaline, I | liquid | Schaake, van Miltenburg, et al., 1982 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
42.572 | 342.49 | crystaline, I | liquid | Schaake, van Miltenburg, et al., 1982 | DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- SOLID; PERKIN-ELMER; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLID (SPLIT MULL) $$ SEE SPECTRUM NO. 6411 "SOLUTION" SPECTRUM, AND 2010 "SOLID FILM" SPECTRUM; DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLUTION (10% CCl4 FOR 3800-1330, 10% CS2 FOR 1330-450 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLUTION (2% CCl4 FOR 3800-1330, 2% CS2 FOR 1330-450 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 290961 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 2179. | Raina, Verma, et al., 2006 | 25. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C |
Capillary | BP-1 | 2161. | Srivastava, Srivastava, et al., 2006 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 3. min; Tstart: 60. C |
Capillary | SPB-1 | 2192. | Nagarajan, Rao, et al., 2001 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 250. C @ 5. min |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BP-1 | 2170. | Khan, Srivastava, et al., 2003 | 25. m/0.25 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C (5min) => 3C/min => 245 C (5min) |
Capillary | DB-5MS | 2170. | Maia, Andrade, et al., 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 40C => 2C/min => 60C => 4C/min => 260C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 2188. | Benkaci-Ali, Baaliouamer, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 30. min |
Capillary | DB-5 | 2158. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-5 | 2162. | Wu, Zorn, et al., 2007 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-1 | 2187. | Rezazadeh, Hamedani, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | HP-5 | 2178. | Rezazadeh, Hamedani, et al., 2006 | 25. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | HP-5MS | 2180. | Vujisic L., Vuckovic I., et al., 2006 | 30. m/0.25 mm/0.25 μm, H2, 4.3 K/min; Tstart: 50. C; Tend: 285. C |
Capillary | DB-5 | 2180. | Alves, Pinto, et al., 2005 | 30. m/0.25 mm/0.25 μm, H2, 5. K/min, 270. C @ 20. min; Tstart: 35. C |
Capillary | DB-5 | 2166. | bin Jantan, Yalvema, et al., 2005 | 25. m/0.25 mm/0.25 μm, N2, 75. C @ 10. min, 3. K/min, 210. C @ 1. min |
Capillary | HP-5MS | 2172. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | SE-30 | 2174. | Tundis, Passalacqua, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 16. K/min, 280. C @ 10. min |
Capillary | DB-5 | 2157. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | SPB-5 | 2172. | Píno, Marbot, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | SPB-5 | 2172. | Pino, Marbot, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | SPB-5 | 2173. | Pino, Marbot, et al., 2004, 2 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | SPB-5 | 2172. | Pino, Marbot, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | HP-5 | 2164. | Flamini, Cioni, et al., 2002 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | SPB-5 | 2172. | Pino, Marbot, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | HP-5MS | 2178. | Skaltsa, Mavrommati, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
Capillary | Ultra-1 | 2139. | Richmond and Pombo-Villar, 1998 | 25. m/0.32 mm/0.52 μm, He, 15. K/min, 320. C @ 10. min; Tstart: 35. C |
Capillary | DB-1 | 2142. | Johnson, Urso, et al., 1997 | 30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min |
Capillary | Ultra-1 | 2138.54 | Richmond and Pombo-Villar, 1997 | 25. m/0.32 mm/0.52 μm, 15. K/min, 320. C @ 10. min; Tstart: 35. C |
Packed | SE-30 | 2175. | Perrigo and Peel, 1981 | N2, Chromosorb W, 130. C @ 2. min, 8. K/min, 290. C @ 8. min; Column length: 1.8 m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 2180. | Özel, Gögüs, et al., 2006 | Program: not specified |
Capillary | DB-5 | 2200. | Beaulieu and Grimm, 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) |
Capillary | HP-1 | 2137. | Sing, Smadja, et al., 1992 | 50. m/0.32 mm/1.05 μm, He; Program: 20C(0.5min) => 60C => 4C/min => 250C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 3181. | Chung, Eiserich, et al., 1994 | He, 60. C @ 4. min, 3. K/min, 220. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | DB-Wax | 3136. | Shiratsuchi, Shimoda, et al., 1994 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 2177. | Xu, Han, et al., 2012 | 30. m/0.25 mm/0.25 μm, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
Capillary | HP-5 MS | 2177. | Xu, Han, et al., 2012 | 30. m/0.25 mm/0.25 μm, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
Capillary | DB-5 MS | 2159. | Stojanovic, RAdulovic, et al., 2011 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | HP-5 MS | 2161. | Radulovic, Dordevic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | DB-1 | 2143. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min |
Capillary | OV-1 | 2153. | Nibret and Wink, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 300. C @ 10. min |
Capillary | HP-5 MS | 2163. | Radulovic, Blagojevic, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | HP-1 | 2137. | Wetwiayaklung, Thavanapong, et al., 2009 | 25. m/0.32 mm/0.17 μm, 50. C @ 5. min, 1. K/min, 260. C @ 5. min |
Capillary | HP-5 MS | 2177. | Xu, Han, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
Capillary | HP-5 MS | 2177. | Xu, Han, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
Capillary | PE-5 | 2173. | Pandey-Rai S., Mallavarapu G.R., et al., 2006 | 50. m/0.32 mm/0.25 μm, He, 100. C @ 1. min, 3. K/min; Tend: 280. C |
Capillary | DB-5 | 2169. | Senatore, Landolfi, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min |
Capillary | HP-5 | 2167.5 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | SPB-5 | 2180. | Pino, Marbot, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | DB-5 | 2169. | Senatore, Apostolides Arnold, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 20. min |
Capillary | HP-5 | 2157. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | HP-5 | 2158. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | HP-5 | 2160. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | HP-5 | 2162. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | HP-5 | 2181. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-5 | 2178. | JAvidnia, Mojab, et al., 2004 | 25. m/0.25 mm/0.25 μm, Nitrogen, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | DB-5 | 2172. | Pino, Marbot, et al., 2003, 2 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 10. min, 4. K/min, 280. C @ 40. min |
Capillary | SPB-5 | 2180. | Pino, Marbot, et al., 2002, 2 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
Capillary | DB-5 | 2170. | Palmeira, Conserva, et al., 2001 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 270. C |
Capillary | Methyl Silicone | 2137. | Vendramini and Trugo, 2000 | 50. m/0.25 mm/0.5 μm, H2, 40. C @ 0.5 min, 4. K/min; Tend: 260. C |
Capillary | HP-1 | 2152. | Lopes, Koketsu, et al., 1999 | 25. m/0.32 mm/0.17 μm, H2, 40. C @ 5. min, 3. K/min; Tend: 260. C |
Capillary | DB-5MS | 2168. | Zoghbi, Andrade, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | Cross-Linked Methylsilicone | 2142. | Bravo and Hotchkiss, 1993 | He, 35. C @ 3. min, 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tend: 225. C |
Capillary | Ultra-1 | 2155. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Capillary | SE-54 | 2178. | Bestmann, Classen, et al., 1988 | N2, 60. C @ 2. min, 6. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | RTX-5 MS | 2161. | Nadaf, Halimi, et al., 2012 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (6 min) 5 0C/min -> 150 0C 10 0C/min -> 280 0C (3 min) |
Capillary | Siloxane, 5 % Ph | 2155. | VOC BinBase, 2012 | Program: not specified |
Capillary | 2180. | Karimi, Farmany, et al., 2011 | Program: not specified | |
Capillary | Polydimethyl siloxane, 5 % phenyl | 2155. | Skogerson, Wohlgemuth, et al., 2011 | Program: not specified |
Capillary | DB-5 | 2200. | Yusuf and Bewaji, 2011 | Helium; Column length: 30. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | DB-1 | 2187. | Xu, Tang, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-1 | 2139. | Delort and Jaquier, 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (5 min) 3 0C/min -> 120 0C 5 0C/min -> 250 0C (3 min) 15 0C/min -> 300 0C (20 min) |
Capillary | HP-1 | 2137. | Wetwiayaklung, Thavanapong, et al., 2009 | 25. m/0.32 mm/0.17 μm; Program: not specified |
Capillary | HP-5 | 2162. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
Capillary | HP-5 | 2164. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | HP-5MS | 2172. | Formisano C., Senatore F., et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C |
Capillary | HP-5MS | 2180. | Alissandrakis, Kibaris, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 2173. | Pino, Marbot, et al., 2005, 2 | Program: not specified |
Capillary | HP-5 | 2177. | Ansorena, Astiasarán, et al., 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
Capillary | Ultra-1 | 2140. | Richmond and Pombo-Villar, 1998 | 25. m/0.32 mm/0.52 μm, He; Program: not specified |
Other | Methyl Silicone | 2174. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 3132. | Dregus and Engel, 2003 | 60. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min |
Capillary | TC-WAX FFS | 3120. | Miyazawa, Maehara, et al., 2002 | He, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 240. C |
Capillary | TC-Wax | 3130. | Miyazawa, Kurose, et al., 2001 | He, 4. K/min, 250. C @ 47. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 80. C |
Capillary | DB-Wax | 3104. | Hatsuko, Kazuko, et al., 1992 | He, 60. C @ 10. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 240. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-FFAP | 3181. | Mebazaa, Mahmoudi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 3090. | Hatsuko, Kazuko, et al., 1992 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 352.98 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
Capillary | DB-1 | 366.9 | Johnson, Urso, et al., 1997 | 30. m/0.2 mm/0.25 μm, 50. C @ 2. min, 5. K/min, 300. C @ 5. min |
Capillary | DB-5 | 350.9 | Donnelly, Abdel-Hamid, et al., 1993 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | LM-5 | 351.12 | Ré-Poppi and Santiago-Silva, 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min) |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Pc Critical pressure Ptriple Triple point pressure S°solid,1 bar Entropy of solid at standard conditions (1 bar) Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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