Diethyl Phthalate
- Formula: C12H14O4
- Molecular weight: 222.2372
- IUPAC Standard InChIKey: FLKPEMZONWLCSK-UHFFFAOYSA-N
- CAS Registry Number: 84-66-2
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1,2-Benzenedicarboxylic acid, diethyl ester; Phthalic acid, diethyl ester; o-Benzenedicarboxylic acid, diethyl ester; Anozol; Ethyl phthalate; Neantine; Palatinol A; Phthalol; Placidol E; Solvanol; Unimoll DA; Diethyl-1,2-benzenedicarboxylate; Diethyl-o-phthalate; Diethylester kyseliny ftalove; Estol 1550; NCI-C60048; Phthalsaeurediaethylester; Rcra waste number U088; Diethyl ester of 1,2-Benzenedicarboxylic acid; DEP; Kodaflex DEP; 1,2-diethyl phthalate; 1,2-Benzenedicarboxylic acid, 1,2-diethyl ester; NSC 8905; o-Bis(ethoxycarbonyl)benzene
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, 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: Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -158.1 | kcal/mol | N/A | Baroody and Carpenter, 1972 | Value computed using ΔfHliquid° value of -753.08 kj/mol from Baroody and Carpenter, 1972 and ΔvapH° value of 91.7±4.6 kj/mol from missing citation. |
ΔfH°gas | -163.8 ± 3.1 | kcal/mol | N/A | Medard and Thomas, 1952 | Value computed using ΔfHliquid° value of -777±12 kj/mol from Medard and Thomas, 1952 and ΔvapH° value of 91.7±4.6 kj/mol from missing citation. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, 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 | -179.99 | kcal/mol | Ccr | Baroody and Carpenter, 1972 | ALS |
ΔfH°liquid | -185.6 ± 2.8 | kcal/mol | Ccb | Medard and Thomas, 1952 | Reanalyzed by Cox and Pilcher, 1970, Original value = -183.6 kcal/mol; Author's hf291_condensed=-189.5 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1421.2 ± 2.8 | kcal/mol | Ccb | Medard and Thomas, 1952 | Reanalyzed by Cox and Pilcher, 1970, Original value = -1423.2 kcal/mol; Author's hf291_condensed=-189.5 kcal/mol; Corresponding ΔfHºliquid = -185.62 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1451.7 | kcal/mol | Ccb | Ball, 1931 | Corresponding ΔfHºliquid = -155.1 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1452.59 | kcal/mol | Ccb | Ball, 1931 | Corresponding ΔfHºliquid = -154.23 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 101.60 | cal/mol*K | N/A | Chang, Horman, et al., 1967 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
85.49 | 298.15 | Fuchs, 1979 | DH |
87.512 | 298.15 | Chang, Horman, et al., 1967 | T = 10 to 360 K. Glass transition temperature about 180 K. Also data for annealed glass and quenched glass 10 to 170 K.; DH |
Phase change data
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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 | 571.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 571. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Tboil | 571.65 | K | N/A | Perkin, 1896 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 272.8 | K | N/A | Buckingham and Donaghy, 1982 | BS |
Tfus | 240.15 | K | N/A | Timmermans and Hennaut-Roland, 1955 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 269.92 | K | N/A | Chang, Horman, et al., 1967, 2 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 19.6 ± 0.1 | kcal/mol | EB,ME | Rohác, Ruzicka, et al., 2004 | AC |
ΔvapH° | 20.9 | kcal/mol | EB,ME | Rohác, Ruzicka, et al., 2004 | AC |
ΔvapH° | 19.4 ± 0.2 | kcal/mol | GCC | Fuchs and Peacock, 1980 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
430. | 0.013 | Buckingham and Donaghy, 1982 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
20.7 | 310. | GS | Grayson and Fosbraey, 2006 | Based on data from 307. to 333. K.; AC |
17.8 | 426. | BG | Katayama, 1988 | AC |
18.6 | 360. | A | Stephenson and Malanowski, 1987 | Based on data from 345. to 453. K.; AC |
14.1 | 436. | A | Stephenson and Malanowski, 1987 | Based on data from 421. to 570. K.; AC |
21.10 ± 0.50 | 233. | V | Hoyer and Peperle, 1958 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 20.4 kcal/mol; ALS |
15.8 | 396. | N/A | Stull, 1947 | Based on data from 381. to 567. K.; 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 |
---|---|---|---|---|---|
382.0 to 567. | 5.444 | 2916.977 | -31.406 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.2983 | 269.92 | Chang, Horman, et al., 1967 | DH |
4.300 | 269.9 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
15.92 | 269.92 | Chang, Horman, et al., 1967 | DH |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+ 218.5
+ 11.25
+
=
+ 13
+ 1.5
By formula: CBrN3O6 + 218.5H2O + 11.25O2 + C12H14O4 = HBr + 13CO2 + 1.5N2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1517.74 ± 0.24 | kcal/mol | Ccr | Carpenter, Zimmer, et al., 1970 | liquid phase; The HBr is in 225H2O |
Henry's Law data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference |
---|---|---|---|
1200. | 5600. | X | N/A |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, 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, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | SE-30 | 100. | 1551.1 | Tudor, 1997 | 40. m/0.35 mm/0.35 μm |
Capillary | OV-101 | 230. | 1581. | Friocourt, Berthou, et al., 1979 | 50. m/0.3 mm/0.35 μm, N2 |
Capillary | SE-30 | 250. | 1583. | Friocourt, Berthou, et al., 1979 | 42. m/0.3 mm/0.39 μm, He |
Packed | SE-30 | 220. | 1587. | Zulaïca and Guiochon, 1963 | Column length: 2. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1603. | Ramarathnam, Rubin, et al., 1993 | He, 30. C @ 2. min, 10. K/min, 280. C @ 3. min; Column length: 30. m; Column diameter: 0.13 mm |
Capillary | OV-101 | 1565. | Yamaguchi and Shibamoto, 1981 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 1568. | Yamaguchi and Shibamoto, 1981 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Packed | OV-101 | 1565. | Alley and Dykes, 1972 | 6. K/min; Tstart: 70. C; Tend: 220. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 1568. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 180. | 2378. | Tudor, Moldovan, et al., 1999 | Phase thickness: 0.45 μm |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 2311. | Nishimura, Yamaguchi, et al., 1989 | 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tstart: 80. C; Tend: 200. C |
Capillary | Carbowax 20M | 2309. | Yamaguchi and Shibamoto, 1981 | N2, 2. K/min; Column length: 70. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BPX-5 | 1605. | Dickschat, Wenzel, et al., 2004 | 25. m/0.22 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; Tend: 300. C |
Capillary | DB-1 | 1543. | 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 | 1585. | Gómez, Ledbetter, et al., 1993 | He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Capillary | 5 % Phenyl methyl siloxane | 1592. | Guisto, Smith, et al., 1993 | 25. m/0.31 mm/0.31 μm, 50. C @ 1. min, 5. K/min, 250. C @ 10. min |
Capillary | DB-1 | 1547.5 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
Capillary | DB-1 | 1550.9 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 300. C |
Packed | SE-30 | 1558. | Helaimia and Messadi, 1989 | Chromosorb Q, 10. K/min; Column length: 2. m; Tstart: 100. C |
Packed | SE-30 | 1584. | Helaimia and Messadi, 1989 | Chromosorb Q, 10. K/min; Column length: 2. m; Tstart: 100. C |
Capillary | SP-2100 | 1562.22 | Podmaniczky, Szepesy, et al., 1986 | H2, 2. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1563.47 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1561.87 | Podmaniczky, Szepesy, et al., 1986 | H2, 6. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1570.77 | Podmaniczky, Szepesy, et al., 1986 | H2, 2. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1572.65 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
Capillary | SP-2100 | 1569.25 | Podmaniczky, Szepesy, et al., 1986 | H2, 6. K/min; Tstart: 170. C |
Capillary | CP Sil 5 CB | 1563.84 | Podmaniczky, Szepesy, et al., 1986 | H2, 4. K/min; Tstart: 170. C |
Capillary | CP Sil 5 CB | 1567. | Halket and Schulten, 1985 | 26. m/0.32 mm/1.25 μm, 10. K/min; Tstart: 100. C; Tend: 250. C |
Capillary | CP Sil 5 CB | 1568. | Halket and Schulten, 1985 | 26. m/0.32 mm/1.25 μm, 10. K/min; Tstart: 100. C; Tend: 250. C |
Packed | SE-30 | 1558. | Messadi and Vergnaud, 1979 | N2, Chromosorb Q, 10. K/min; Tstart: 100. C; Tend: 340. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1546. | Özel, Gögüs, et al., 2006 | Program: not specified |
Capillary | OV-101 | 1549. | Yasuhara, Shiraishi, et al., 1997 | 15. m/0.25 mm/0.25 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Capillary | 5 % Phenyl methyl siloxane | 1595. | Yasuhara, Shiraishi, et al., 1997 | 25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Packed | SE-30 | 1583. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-20M | 2380. | Jerkovic, Mastelic, et al., 2003 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 10. min |
Capillary | Supelcowax-10 | 2370. | Chung, Yung, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | DB-Wax | 2401. | Claudela, Dirningera, et al., 2002 | 60. m/0.32 mm/0.5 μm, He, 2.7 K/min, 235. C @ 30. min; Tstart: 67. C |
Capillary | Supelcowax-10 | 2370. | Chung, Yung, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | Supelcowax-10 | 2372. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | DB-Wax | 2366. | Cha, Kim, et al., 1998 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min |
Capillary | DB-Wax | 2358.9 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 240. C |
Capillary | DB-Wax | 2361.1 | Chang, Sheng, et al., 1989 | 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 240. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2319. | Ziegleder, 2001 | He; Column length: 60. m; Column diameter: 0.25 mm; Program: 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C (40min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1594. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
Capillary | VF-5MS | 1559. | Ghiasvand, Setkova, et al., 2007 | 30. m/0.25 mm/0.25 μm, 7. K/min; Tstart: 40. C; Tend: 250. C |
Capillary | DB-5 | 1546. | Ozel, Gogus, et al., 2006 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 0.5 min, 5. K/min, 280. C @ 2. min |
Capillary | HP-5 | 1602.3 | 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 | DB-1 | 1545. | Park, Lee, et al., 2004 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
Capillary | DB-1 | 1546. | Park, Lee, et al., 2004 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
Capillary | DB-1 | 1547. | Park, Lee, et al., 2004 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
Capillary | DB-1 | 1550. | Park, Lee, et al., 2004 | 60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min |
Packed | SE-30 | 1578. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
Packed | SE-30 | 1578. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
Packed | SE-30 | 1578. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
Packed | SE-30 | 1578. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
Packed | SE-30 | 1578. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
Packed | SE-30 | 1579. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
Packed | SE-30 | 1582. | Lourici, Souici, et al., 1999 | Nitrogen, Chromosorb Q (60-80 mesh), 8. K/min; Column length: 2. m; Tstart: 100. C; Tend: 290. C |
Capillary | DB-5 MS | 1585. | Gomez and Ledbetter, 1994 | Helium, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
Capillary | Ultra-1 | 1541. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Capillary | DB-1 | 1556. | Shiota, 1991 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C |
Capillary | DB-1 | 1563. | Shiota, 1991 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 240. C |
Capillary | SE-54 | 1597. | Harland, Cumming, et al., 1986 | He, 50. C @ 2. min, 8. K/min, 250. C @ 12. min; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | DB-1 | 1551. | Habu, Flath, et al., 1985 | 3. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 1547. | Flath, Mon, et al., 1983 | 50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm |
Capillary | SE-30 | 1559. | Heydanek and McGorrin, 1981 | He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TR-5 MS | 1601. | Kurashov, Krylova, et al., 2013 | 15. m/0.25 mm/0.25 μm, Helium; Program: 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 mion) 15 0C/min -> 240 0C (10 min) |
Capillary | HP-5 MS | 1591. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | SLB-5 MS | 1592. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | SLB-5 MS | 1594. | Mondello, 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Siloxane, 5 % Ph | 1610. | VOC BinBase, 2012 | Program: not specified |
Capillary | 1546. | Karimi, Farmany, et al., 2011 | Program: not specified | |
Capillary | Polydimethyl siloxane, 5 % phenyl | 1610. | Skogerson, Wohlgemuth, et al., 2011 | Program: not specified |
Capillary | Squalane | 1583. | Chen, 2008 | Program: not specified |
Capillary | HP-5 | 1595. | 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 | 1603. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | VF-5MS | 1570. | Xie, Sun, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 15C/min => 100C => 4C/min => 250C (1min) |
Capillary | HP-5MS | 1597. | 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 | DB-1 | 1583. | Touafek, Nacer, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (15min) |
Capillary | SE-30 | 1565. | Vinogradov, 2004 | Program: not specified |
Capillary | OV-1 | 1548. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1551. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1559. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1564. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | SF-96 | 1560. | Fagan, Kepner, et al., 1982 | He; Program: not specified |
Capillary | SF-96 | 1563. | Fagan, Kepner, et al., 1982 | He; Program: not specified |
Capillary | SE-54 | 1604. | Fagan, Kepner, et al., 1982 | He; Column length: 35. m; Column diameter: 0.25 mm; Program: not specified |
Other | Methyl Silicone | 1564. | Ardrey and Moffat, 1981 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2355. | Cai, Lin, et al., 2006 | 60. m/0.25 mm/0.5 μm, He, 50. C @ 2. min, 3. K/min, 230. C @ 20. min |
Capillary | DB-Wax | 2374. | Tanaka, Yamauchi, et al., 2003 | 30. m/0.25 mm/0.25 μm, 30. C @ 1. min, 4. K/min; Tend: 250. C |
Capillary | DB-Wax | 2312. | Lee and Shibamoto, 2000 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C |
Capillary | DB-Wax | 2361. | Umano, Hagi, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Capillary | DB-Wax | 2358. | Umano, Nakahara, et al., 1999 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelko CO Wax | 2365. | Vekiari, Orepoulou, et al., 2010 | 60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min) |
Capillary | Supelko CO Wax | 2365. | Vekiari, Orepoulou, et al., 2010 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 2407. | Yongsheng, Hua, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min) |
Capillary | DB-Wax | 2400. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Superox 0.6; Carbowax 20M | 2333. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Superox 0.6; Carbowax 20M | 2346. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 271.9 | 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 | 269.9 | 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 | Methyl Silicone | 271.04 | Eckel, Ross, et al., 1993 | Program: not specified |
Capillary | Methyl Silicone | 272.56 | Eckel, Ross, et al., 1993 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, 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, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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