Heptane
- Formula: C7H16
- Molecular weight: 100.2019
- IUPAC Standard InChI: InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3
- IUPAC Standard InChIKey: IMNFDUFMRHMDMM-UHFFFAOYSA-N
- CAS Registry Number: 142-82-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: n-Heptane; Dipropylmethane; Heptyl hydride; Skellysolve C; n-C7H16; Eptani; Heptan; Heptanen; Gettysolve-C; NSC 62784
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Gas phase 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -44.89 ± 0.19 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
| ΔfH°gas | -45.24 | kcal/mol | N/A | Davies and Gilbert, 1941 | Value computed using ΔfHliquid° value of -225.9±1.3 kj/mol from Davies and Gilbert, 1941 and ΔvapH° value of 36.6 kj/mol from Prosen and Rossini, 1945.; DRB |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 30.509 | 200. | Scott D.W., 1974 | Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a better agreement with experimental data than the statistical thermodynamics calculation [ Pitzer K.S., 1944, Pitzer K.S., 1946].; GT |
| 36.960 | 273.15 | ||
| 39.48 ± 0.07 | 298.15 | ||
| 39.670 | 300. | ||
| 50.349 | 400. | ||
| 60.251 | 500. | ||
| 68.700 | 600. | ||
| 75.801 | 700. | ||
| 81.800 | 800. | ||
| 86.900 | 900. | ||
| 91.200 | 1000. | ||
| 94.900 | 1100. | ||
| 98.100 | 1200. | ||
| 101.00 | 1300. | ||
| 104.00 | 1400. | ||
| 106.00 | 1500. |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 45.770 ± 0.045 | 357.10 | Waddington G., 1947 | GT |
| 47.510 ± 0.048 | 373.15 | ||
| 50.370 ± 0.050 | 400.40 | ||
| 53.850 ± 0.055 | 434.35 | ||
| 57.000 ± 0.057 | 466.10 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Site Links, NIST Free Links, 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 | -53.63 ± 0.19 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
| ΔfH°liquid | -53.99 ± 0.30 | kcal/mol | Ccb | Davies and Gilbert, 1941 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1151. ± 2. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 78.530 | cal/mol*K | N/A | Huffman, Gross, et al., 1961 | DH |
| S°liquid | 78.389 | cal/mol*K | N/A | Douglas, Furukawa, et al., 1954 | DH |
| S°liquid | 78.599 | cal/mol*K | N/A | Pitzer K.S., 1940 | DH |
| S°liquid | 78.90 | cal/mol*K | N/A | Huffman, Parks, et al., 1930 | Extrapolation below 90 K, 71.00 J/mol*K. Based on previously published specific heat data, 30PAR/HUF.; DH |
| S°liquid | 78.01 | cal/mol*K | N/A | Parks, Huffman, et al., 1930 | Extrapolation below 90 K, 71.00 J/mol*K.; DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 53.690 | 298.15 | Andreoli-Ball, Patterson, et al., 1988 | DH |
| 53.709 | 298.15 | Saito and Tanaka, 1988 | DH |
| 53.712 | 298.15 | Shiohama, Ogawa, et al., 1988 | DH |
| 53.270 | 293.15 | Kalali, Kohler, et al., 1987 | T = 293.15, 313.15 K.; DH |
| 53.7096 | 298.15 | Tanaka, 1987 | DH |
| 53.810 | 300. | Van Miltenburg, Van den Berg, et al., 1987 | T = 10 to 350 K.; DH |
| 53.707 | 298.15 | Wilhelm, Inglese, et al., 1987 | DH |
| 53.7239 | 298.15 | Baluja, Bravo, et al., 1985 | DH |
| 53.7239 | 298.15 | Lainez, Rodrigo, et al., 1985 | DH |
| 53.7120 | 298.15 | Tanaka, Nakamichi, et al., 1985 | DH |
| 53.707 | 298.15 | Grolier, Inglese, et al., 1984 | DH |
| 53.724 | 298.15 | Roux, Grolier, et al., 1984 | DH |
| 53.7199 | 298.15 | Kimura, Treszczanowicz, et al., 1983 | DH |
| 53.855 | 300. | Tan, Zhou, et al., 1983 | T = 220 to 380 K.; DH |
| 53.73 | 298.15 | Tanaka, 1982 | DH |
| 53.54 | 298. | Zaripov, 1982 | T = 298, 323, 363 K.; DH |
| 53.702 | 298.15 | Grolier, Inglese, et al., 1981 | DH |
| 53.685 | 297.860 | Kalinowska, Jedlinska, et al., 1980 | T = 185 to 300 K. Unsmoothed experimental datum.; DH |
| 53.695 | 298.15 | Brown and Ziegler, 1979 | T = 183 to 302 K. Results as equation only.; DH |
| 53.92 | 300. | Czarnota, 1979 | DH |
| 53.68 | 298.15 | Grolier, Hamedi, et al., 1979 | DH |
| 52.581 | 285. | Schaake, Offringa, et al., 1979 | T = 90 to 285 K.; DH |
| 54.13 | 333.15 | Woycicka and Kalinowska, 1978 | DH |
| 60.95 | 298.15 | Meijer, Blok, et al., 1977 | T = 160 to 350 K.; DH |
| 53.7063 | 298.15 | Fortier and Benson, 1976 | DH |
| 53.39 | 298. | Grigor'ev, Rastorguev, et al., 1975 | T = 300 to 463 K.; DH |
| 53.583 | 298.15 | Holzhauer and Ziegler, 1975 | T = 182 to 312 K. Cp = 866.18820 - 9.9628490T + 0.054561085T2 - 0.00013079634T3 + 1.1957392x10-7T4 J/mol*K.; DH |
| 54.142 | 303.15 | Woycicka and Kalinowska, 1975 | DH |
| 53.85 | 298.15 | Diaz pena and Renuncio, 1974 | T = 298 to 323 K.; DH |
| 54.142 | 298.15 | Kalinowska and Woycicka, 1973 | DH |
| 50.10 | 250. | Van Miltenburg, 1972 | T = 130 to 263 K.; DH |
| 78.540 | 298.15 | Oetting F.L., 1963 | DH |
| 53.760 | 298.15 | Huffman, Gross, et al., 1961 | T = 10 to 300 K.; DH |
| 53.760 | 298.15 | McCullough and Messerly, 1961 | T = 10 to 370 K. Csat(liq) = 56.582 - 0.14490T + 5.7813x10-4T2 - 4.1667x10-7T3 cal/mol*K.; DH |
| 59.11 | 332. | Swietoslawski and Zielenkiewicz, 1958 | Mean value 22 to 96 C.; DH |
| 55.719 | 299.8 | Helfrey, Heiser, et al., 1955 | T = 70 to 220 F.; DH |
| 53.714 | 298.15 | Douglas, Furukawa, et al., 1954 | T = 20 to 520 K.; DH |
| 53.714 | 298.15 | Ginnings and Furukawa, 1953 | T = 25 to 520 K.; DH |
| 53.740 | 298.15 | Osborne and Ginnings, 1947 | T = 278 to 318 K.; DH |
| 53.681 | 296.5 | Pitzer K.S., 1940 | T = 15 to 318 K. Value is unsmoothed experimental datum.; DH |
| 50.50 | 298. | Bykov, 1939 | DH |
| 50.41 | 300.8 | Phillip, 1939 | DH |
| 53.30 | 298. | Vold, 1937 | Cp given as 0.532 cal/g*K.; DH |
| 53.61 | 298.1 | Richards and Wallace, 1932 | T = 293 to 323 K.; DH |
| 53.11 | 299.2 | Parks, Huffman, et al., 1930 | T = 90 to 300 K. Value is unsmoothed experimental datum.; DH |
| 51.86 | 303. | Willams and Daniels, 1924 | T = 303 to 350 K. Equation only.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Site Links, NIST Free Links, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
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 | 371.5 ± 0.3 | K | AVG | N/A | Average of 215 out of 227 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 182.6 ± 0.4 | K | AVG | N/A | Average of 51 out of 52 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Ttriple | 182.56 ± 0.03 | K | AVG | N/A | Average of 26 out of 31 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Tc | 540. ± 2. | K | AVG | N/A | Average of 27 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Pc | 27.0 ± 0.3 | atm | AVG | N/A | Average of 18 out of 19 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| Vc | 0.428 | l/mol | N/A | Ambrose and Tsonopoulos, 1995 | |
| Vc | 0.425 | l/mol | N/A | Zawisza and Vejrosta, 1982 | Uncertainty assigned by TRC = 0.001 l/mol; Visual; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ρc | 2.35 ± 0.07 | mol/l | AVG | N/A | Average of 12 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 8.6 ± 0.8 | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 7.593 | 371.6 | N/A | Majer and Svoboda, 1985 | |
| 8.29 | 345. | N/A | Segura, Wisniak, et al., 2002 | Based on data from 330. to 371. K.; AC |
| 8.41 | 343. | N/A | Ortega, González, et al., 2001 | Based on data from 328. to 393. K.; AC |
| 8.63 | 312. | A | Stephenson and Malanowski, 1987 | Based on data from 297. to 375. K. See also Forziati, Norris, et al., 1949.; AC |
| 8.63 | 313. | N/A | Michou-Saucet, Jose, et al., 1984 | Based on data from 298. to 338. K.; AC |
| 8.63 | 313. | N/A | Sipowska and Wieczorek, 1984 | Based on data from 298. to 363. K.; AC |
| 8.51 ± 0.02 | 313. | C | Majer, Svoboda, et al., 1979 | AC |
| 8.22 ± 0.02 | 333. | C | Majer, Svoboda, et al., 1979 | AC |
| 7.91 ± 0.02 | 353. | C | Majer, Svoboda, et al., 1979 | AC |
| 8.70 | 303. | N/A | Van Ness, Soczek, et al., 1967 | Based on data from 288. to 348. K.; AC |
| 8.25 ± 0.02 | 331. | C | Waddington, Todd, et al., 1947 | AC |
| 7.93 ± 0.02 | 350. | C | Waddington, Todd, et al., 1947 | AC |
| 8.46 | 328. | N/A | Thomson, 1946 | Based on data from 313. to 398. K.; AC |
| 8.60 | 314. | MM | Willingham, Taylor, et al., 1945 | Based on data from 299. to 372. K.; AC |
| 7.65 | 371. | C | Pitzer K.S., 1940 | AC |
| 8.48 | 325. | EB | Smith, 1940 | Based on data from 310. to 397. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
|---|---|---|---|---|---|
| 298. to 363. | 12.83 | 0.2831 | 540.2 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 185.29 to 295.60 | 4.81232 | 1635.409 | -27.338 | Carruth and Kobayashi, 1973 | Coefficents calculated by NIST from author's data. |
| 299.07 to 372.43 | 4.02261 | 1268.636 | -56.199 | Williamham, Taylor, et al., 1945 |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 13.8 | 183. | B | Bondi, 1963 | AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 3.3437 | 182.57 | Van Miltenburg, Van den Berg, et al., 1987 | DH |
| 3.3587 | 182.59 | Schaake, Offringa, et al., 1979 | DH |
| 3.3549 | 182.55 | Huffman, Gross, et al., 1961 | DH |
| 3.3549 | 182.55 | McCullough and Messerly, 1961 | DH |
| 3.3513 | 182.56 | Douglas, Furukawa, et al., 1954 | DH |
| 3.3513 | 182.56 | Ginnings and Furukawa, 1953 | DH |
| 3.35581 | 182.52 | Pitzer K.S., 1940 | DH |
| 3.3602 | 182.7 | Meijer, Blok, et al., 1977 | DH |
| 3.3607 | 182.56 | Van Miltenburg, 1972 | DH |
| 3.35339 | 182.56 | Oetting F.L., 1963 | DH |
| 3.356 | 182.6 | Domalski and Hearing, 1996 | AC |
| 3.3850 | 182.2 | Huffman, Parks, et al., 1930 | DH |
| 3.3850 | 182.2 | Parks, Huffman, et al., 1930 | DH |
Entropy of fusion
| ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 18.39 | 182.59 | Schaake, Offringa, et al., 1979 | DH |
| 18.38 | 182.55 | Huffman, Gross, et al., 1961 | DH |
| 18.38 | 182.55 | McCullough and Messerly, 1961 | DH |
| 18.84 | 182.56 | Douglas, Furukawa, et al., 1954 | DH |
| 18.36 | 182.56 | Ginnings and Furukawa, 1953 | DH |
| 18.39 | 182.52 | Pitzer K.S., 1940 | DH |
| 18.4 | 182.7 | Meijer, Blok, et al., 1977 | DH |
| 18.41 | 182.56 | Van Miltenburg, 1972 | DH |
| 18.36 | 182.56 | Oetting F.L., 1963 | DH |
| 18.58 | 182.2 | Huffman, Parks, et al., 1930 | DH |
| 18.58 | 182.2 | Parks, Huffman, et al., 1930 | DH |
Temperature of phase transition
| Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|
| 182.586 | crystaline, I | liquid | Holzhauer and Ziegler, 1975 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Site Links, NIST Free Links, 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:
MS - José A. Martinho Simões
ALS - 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
(solution) +
(solution) = C14H21MnO2 (solution) +
(solution)
By formula: C8H5MnO3 (solution) + C7H16 (solution) = C14H21MnO2 (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 47. ± 2. | kcal/mol | AVG | N/A | Average of 18 values; Individual data points |
(solution) +
(solution) = C12H16CrO5 (solution) +
(solution)
By formula: C6CrO6 (solution) + C7H16 (solution) = C12H16CrO5 (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 27.1 ± 0.8 | kcal/mol | AVG | N/A | Average of 13 values; Individual data points |
C12H16CrO5 (solution) = (solution) + C5CrO5 (solution)
By formula: C12H16CrO5 (solution) = C7H16 (solution) + C5CrO5 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.61 | kcal/mol | N/A | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 36.81 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C7H16(solution) = Cr(CO)5(n-C7H16)(solution) + CO(solution), 27.20 kcal/mol Morse, Parker, et al., 1989; MS |
| ΔrH° | 9.8 | kcal/mol | N/A | Yang, Vaida, et al., 1988 | solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Cr-CO bond in Cr(CO)6, 36.81 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Cr(CO)6(solution) + n-C7H16(solution) = Cr(CO)5(n-C7H16)(solution) + CO(solution), 26.98 kcal/mol Yang, Peters, et al., 1986; MS |
+
=
By formula: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -29.8 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
C12H16MoO5 (solution) = C5MoO5 (solution) + (solution)
By formula: C12H16MoO5 (solution) = C5MoO5 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.70 | kcal/mol | N/A | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of Mo-CO bond in Mo(CO)6, 40.51 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction Mo(CO)6(solution) + n-C7H16(solution) = Mo(CO)5(n-C7H16)(solution) + CO(solution), 31.81 kcal/mol Morse, Parker, et al., 1989; MS |
C12H16O5W (solution) = C5O5W (solution) + (solution)
By formula: C12H16O5W (solution) = C5O5W (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.4 | kcal/mol | N/A | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy was derived by using the LPHP value for the enthalpy of cleavage of W-CO bond in W(CO)6, 46.01 kcal/mol Lewis, Golden, et al., 1984, toghether with a PAC value for the reaction W(CO)6(solution) + n-C7H16(solution) = W(CO)5(n-C7H16)(solution) + CO(solution), 32.60 kcal/mol Morse, Parker, et al., 1989; MS |
(solution) +
(solution) = C12H16MoO5 (solution) +
(solution)
By formula: C6MoO6 (solution) + C7H16 (solution) = C12H16MoO5 (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.3 ± 2.9 | kcal/mol | PAC | Johnson, Popov, et al., 1991 | solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation.; MS |
| ΔrH° | 31.8 ± 1.3 | kcal/mol | PAC | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy relies on 0.67 for the quantum yield of CO dissociation; MS |
+
=
By formula: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -28.32 ± 0.07 | kcal/mol | Chyd | Rogers and Dejroongruang, 1988 | liquid phase; solvent: Hydrocarbone; ALS |
| ΔrH° | -28.01 ± 0.68 | kcal/mol | Chyd | Rogers and Siddiqui, 1975 | liquid phase; solvent: n-Hexane; ALS |
=
By formula: C7H16 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -0.14 ± 0.23 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization; ALS |
| ΔrH° | -0.52 ± 0.27 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization; ALS |
=
By formula: C7H16 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -3.42 ± 0.28 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization; ALS |
| ΔrH° | -4.45 ± 0.32 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization; ALS |
=
By formula: C7H16 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.18 ± 0.26 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization; ALS |
| ΔrH° | -2.80 ± 0.30 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization; ALS |
=
By formula: C7H16 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.54 ± 0.16 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization; ALS |
| ΔrH° | -3.40 ± 0.22 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization; ALS |
=
By formula: C7H16 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -2.44 ± 0.15 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization; ALS |
| ΔrH° | -3.24 ± 0.21 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization; ALS |
=
By formula: C7H16 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -3.00 ± 0.22 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization; ALS |
| ΔrH° | -4.17 ± 0.27 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization; ALS |
(solution) +
(solution) = C12H16O5W (solution) +
(solution)
By formula: C6O6W (solution) + C7H16 (solution) = C12H16O5W (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.60 ± 0.41 | kcal/mol | PAC | Morse, Parker, et al., 1989 | solvent: Heptane; The reaction enthalpy relies on 0.72 for the quantum yield of CO dissociation; MS |
(solution) +
(solution) = C15H22CrO2 (solution) +
(solution)
By formula: C9H6CrO3 (solution) + C7H16 (solution) = C15H22CrO2 (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.79 ± 0.31 | kcal/mol | PAC | Burkey, 1990 | solvent: Heptane; The reaction enthalpy relies on 0.72 for the quantum yield of CO dissociation; MS |
(solution) +
(solution) = C15H21O3V (solution) +
(solution)
By formula: C9H5O4V (solution) + C7H16 (solution) = C15H21O3V (solution) + CO (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 25.6 ± 3.1 | kcal/mol | PAC | Johnson, Popov, et al., 1991 | solvent: Heptane; The reaction enthalpy relies on 0.80 for the quantum yield of CO dissociation.; MS |
C12H16CrO5 (solution) + (solution) =
(solution) + C10H5CrNO5 (solution)
By formula: C12H16CrO5 (solution) + C4H4N2 (solution) = C7H16 (solution) + C10H5CrNO5 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -20.1 ± 0.41 | kcal/mol | PAC | Yang, Vaida, et al., 1988 | solvent: Heptane; MS |
+
=
By formula: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -27.3 ± 0.1 | kcal/mol | Chyd | Rogers and Dejroongruang, 1988 | liquid phase; solvent: Hydrocarbone; ALS |
+
=
By formula: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -27.41 ± 0.07 | kcal/mol | Chyd | Rogers and Dejroongruang, 1988 | liquid phase; solvent: Hydrocarbone; ALS |
C14H21MnO2 (solution) + (solution) = C11H13MnO3 (solution) +
(solution)
By formula: C14H21MnO2 (solution) + C4H8O (solution) = C11H13MnO3 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -16.1 ± 1.4 | kcal/mol | PAC | Klassen, Selke, et al., 1990 | solvent: Heptane; MS |
+
=
By formula: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -27.63 ± 0.1 | kcal/mol | Chyd | Rogers and Dejroongruang, 1988 | liquid phase; solvent: Hydrocarbone; ALS |
C12H16CrO5 (solution) + (solution) = C9H8CrO6 (solution) +
(solution)
By formula: C12H16CrO5 (solution) + C4H8O (solution) = C9H8CrO6 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.4 ± 1.2 | kcal/mol | PAC | Yang, Peters, et al., 1986 | solvent: Heptane; MS |
C12H16CrO5 (solution) + (solution) =
(solution) + C8H6CrO6 (solution)
By formula: C12H16CrO5 (solution) + C3H6O (solution) = C7H16 (solution) + C8H6CrO6 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -13.5 ± 1.2 | kcal/mol | PAC | Yang, Peters, et al., 1986 | solvent: Heptane; MS |
C12H16CrO5 (solution) + (solution) = C17H27CrNO5 (solution) +
(solution)
By formula: C12H16CrO5 (solution) + C12H27N (solution) = C17H27CrNO5 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.2 ± 1.2 | kcal/mol | PAC | Yang, Peters, et al., 1986 | solvent: Heptane; MS |
C12H16CrO5 (solution) + (solution) = C11H12CrO5 (solution) +
(solution)
By formula: C12H16CrO5 (solution) + C6H12 (solution) = C11H12CrO5 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.2 ± 1.2 | kcal/mol | PAC | Yang, Peters, et al., 1986 | solvent: Heptane; MS |
C14H21MnO2 (solution) + (solution) = C10H11MnO3 (solution) +
(solution)
By formula: C14H21MnO2 (solution) + C3H6O (solution) = C10H11MnO3 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -17.4 ± 1.0 | kcal/mol | PAC | Klassen, Selke, et al., 1990 | solvent: Heptane; MS |
C14H21MnO2 (solution) + (solution) = C8H7Cl2MnO2 (solution) +
(solution)
By formula: C14H21MnO2 (solution) + CH2Cl2 (solution) = C8H7Cl2MnO2 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -9.0 ± 1.0 | kcal/mol | PAC | Yang and Yang, 1992 | solvent: Heptane; MS |
C14H21MnO2 (solution) + (solution) = C8H7Br2MnO2 (solution) +
(solution)
By formula: C14H21MnO2 (solution) + CH2Br2 (solution) = C8H7Br2MnO2 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.2 ± 1.2 | kcal/mol | PAC | Yang and Yang, 1992 | solvent: Heptane; MS |
C12H16CrO5 (solution) + (solution) = C7H5CrO6 (solution) +
(solution)
By formula: C12H16CrO5 (solution) + C2H6O (solution) = C7H5CrO6 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -13.8 ± 1.2 | kcal/mol | PAC | Yang, Peters, et al., 1986 | solvent: Heptane; MS |
C12H16CrO5 (solution) + (solution) = C8H6CrNO5 (solution) +
(solution)
By formula: C12H16CrO5 (solution) + C2H3N (solution) = C8H6CrNO5 (solution) + C7H16 (solution)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -18.2 ± 1.2 | kcal/mol | PAC | Yang, Peters, et al., 1986 | solvent: Heptane; MS |
+ 2
=
By formula: C7H12 + 2H2 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -65.11 ± 0.31 | kcal/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane; ALS |
2 +
=
By formula: 2H2 + C7H12 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -64.63 ± 0.36 | kcal/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane; ALS |
2 +
=
By formula: 2H2 + C7H12 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -69.65 ± 0.39 | kcal/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane; ALS |
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 | Comment |
|---|---|---|---|---|
| 0.0012 | 3700. | L | N/A | |
| 0.0012 | 3700. | X | N/A | |
| 0.00037 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
| 0.00044 | L | N/A | ||
| 0.00049 | V | N/A |
Gas phase ion energetics 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 evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| IE (evaluated) | 9.93 ± 0.10 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.15 | EST | Luo and Pacey, 1992 | LL |
| 9.93 ± 0.10 | EVAL | Lias, 1982 | LBLHLM |
| 9.83 ± 0.15 | EQ | Mautner(Meot-Ner), Sieck, et al., 1981 | LLK |
| 9.91 | EQ | Lias, Ausloos, et al., 1976 | LLK |
| 9.90 ± 0.05 | PI | Brehm, 1966 | RDSH |
| 10.16 | PE | Turner and Al-Joboury, 1964 | RDSH |
| 10.08 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CH3+ | 27.9 ± 0.2 | ? | EI | Olmsted, Street, et al., 1964 | RDSH |
| C2H5+ | 12.89 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
| C3H5+ | 12.7 ± 0.1 | ? | PI | Brehm, 1966 | RDSH |
| C3H6+ | 10.7 ± 0.1 | C4H10 | PI | Brehm, 1966 | RDSH |
| C3H6+ | 10.97 ± 0.08 | C4H10 | PI | Steiner, Giese, et al., 1961 | RDSH |
| C3H7+ | 11.58 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
| C3H7+ | 11.05 ± 0.05 | ? | PI | Brehm, 1966 | RDSH |
| C4H7+ | 11.5 ± 0.1 | ? | PI | Brehm, 1966 | RDSH |
| C4H8+ | 10.56 ± 0.05 | C3H8 | PI | Brehm, 1966 | RDSH |
| C4H8+ | 10.97 ± 0.03 | C3H8 | PI | Steiner, Giese, et al., 1961 | RDSH |
| C4H9+ | 10.72 | C3H7 | EI | Potzinger and Bunau, 1969 | RDSH |
| C4H9+ | 10.56 ± 0.05 | C3H7 | PI | Brehm, 1966 | RDSH |
| C4H9+ | 11.19 ± 0.07 | C3H7 | PI | Steiner, Giese, et al., 1961 | RDSH |
| C5H10+ | 10.33 | C2H6 | EI | Lewis and Hamill, 1970 | RDSH |
| C5H10+ | 10.40 ± 0.05 | C2H6 | PI | Brehm, 1966 | RDSH |
| C5H10+ | 11.035 ± 0.025 | C2H6 | PI | Steiner, Giese, et al., 1961 | RDSH |
| C5H11+ | 10.66 | C2H5 | EI | Potzinger and Bunau, 1969 | RDSH |
| C5H11+ | 10.43 ± 0.05 | C2H5 | PI | Brehm, 1966 | RDSH |
| C5H11+ | 10.96 ± 0.085 | C2H5 | PI | Steiner, Giese, et al., 1961 | RDSH |
| C6H12+ | 11.145 ± 0.035 | CH4 | PI | Steiner, Giese, et al., 1961 | RDSH |
| C6H13+ | 10.7 ± 0.1 | CH3 | PI | Brehm, 1966 | RDSH |
| C6H13+ | 10.93 ± 0.11 | CH3 | PI | Steiner, Giese, et al., 1961 | RDSH |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- GAS (30 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm-1 resolution
- LIQUID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| 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 | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
| NIST MS number | 61276 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Site Links, NIST Free Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D.,
Heats of combustion and formation of the paraffin hydrocarbons at 25° C,
J. Res. NBS, 1945, 263-267. [all data]
Davies and Gilbert, 1941
Davies, G.F.; Gilbert, E.C.,
Heats of combustion and formation of the nine isomeric heptanes in the liquid state,
J. Am. Chem. Soc., 1941, 63, 2730-2732. [all data]
Scott D.W., 1974
Scott D.W.,
Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]
Scott D.W., 1974, 2
Scott D.W.,
Correlation of the chemical thermodynamic properties of alkane hydrocarbons,
J. Chem. Phys., 1974, 60, 3144-3165. [all data]
Pitzer K.S., 1944
Pitzer K.S.,
Thermodynamics of gaseous paraffins. Specific heat and related properties,
Ind. Eng. Chem., 1944, 36, 829-831. [all data]
Pitzer K.S., 1946
Pitzer K.S.,
The entropies and related properties of branched paraffin hydrocarbons,
Chem. Rev., 1946, 39, 435-447. [all data]
Waddington G., 1947
Waddington G.,
An improved flow calorimeter. Experimental vapor heat capacities and heats of vaporization of n-heptane and 2,2,3-trimethylbutane,
J. Am. Chem. Soc., 1947, 69, 22-30. [all data]
Huffman, Gross, et al., 1961
Huffman, H.M.; Gross, M.E.; Scott, D.W.; McCullough, I.P.,
Low temperature thermodynamic properties of six isomeric heptanes,
J. Phys. Chem., 1961, 65, 495-503. [all data]
Douglas, Furukawa, et al., 1954
Douglas, T.B.; Furukawa, G.T.; McCoskey, R.E.; Ball, A.F.,
Calorimetric properties of normal heptane from 0 to 520 K,
J. Res., 1954, NBS 53, 139-153. [all data]
Pitzer K.S., 1940
Pitzer K.S.,
The thermodynamics of n-heptane and 2,2,4-trimethylpentane, including heat capacities, heats of fusion and vaporization and entropies,
J. Am. Chem. Soc., 1940, 62, 1224-1227. [all data]
Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Thomas, S.B.,
Thermal data on organic compounds. VIII. The heat capacities, entropies and free energies of the isomeric heptanes,
J. Am. Chem. Soc., 1930, 52, 3241-3251. [all data]
Parks, Huffman, et al., 1930
Parks, G.S.; Huffman, H.M.; Thomas, S.B.,
Thermal data on organic compounds. VI. The heat capacities, entropies and free energies of some saturated, non-benzenoid hydrocarbons,
J. Am. Chem. Soc., 1930, 52, 1032-1041. [all data]
Andreoli-Ball, Patterson, et al., 1988
Andreoli-Ball, L.; Patterson, D.; Costas, M.; Caceres-Alonso, M.,
Heat capacity and corresponding states in alkan-1-ol-n-alkane systems, J. Chem. Soc.,
Faraday Trans. 1, 1988, 84(11), 3991-4012. [all data]
Saito and Tanaka, 1988
Saito, A.; Tanaka, R.,
Excess volumes and heat capacities of binary mixtures formed from cyclohexane, hexane and heptane at 298.15 K,
J. Chem. Thermodynam., 1988, 20, 859-865. [all data]
Shiohama, Ogawa, et al., 1988
Shiohama, Y.; Ogawa, H.; Murakami, S.; Fujihara, I.,
Excess molar isobaric heat capacities and isentropic compressibilities of (cis- or trans-decalin + benzene or toluene or iso-octane or n-heptane) at 298.15 K,
J. Chem. Thermodynam., 1988, 20, 1183-1189. [all data]
Kalali, Kohler, et al., 1987
Kalali, H.; Kohler, F.; Svejda, P.,
Excess properties of the mixture bis(2-dichlorethyl)ether (chlorex) + 2,2,4-trimethylpentane (isooctane),
Monatsh. Chem., 1987, 118, 1-18. [all data]
Tanaka, 1987
Tanaka, R.,
Excess heat capacities for mixture of benzene with n-heptane at 293.15, 298.15 and 303.15 K,
J. Chem. Eng. Data, 1987, 32, 176-177. [all data]
Van Miltenburg, Van den Berg, et al., 1987
Van Miltenburg, J.C.; Van den Berg, G.J.K.; Van Bommel, M.J.,
Construction of an adiabatic calorimeter. Measurements of the molar heat capacity of synthetic sapphire and of n-heptane,
J. Chem. Thermodynam., 1987, 19, 1129-1137. [all data]
Wilhelm, Inglese, et al., 1987
Wilhelm, E.; Inglese, A.; Roux, A.H.; Grolier, J.-P.E.,
Excess enthalpy, excess heat capacity and excess volume of 1,2,4-trimethylbenzene +, and 1-methylnaphthalene + an n-alkane,
Fluid Phase Equilibria, 1987, 34, 49-67. [all data]
Baluja, Bravo, et al., 1985
Baluja, M.C.; Bravo, R.; Pintos, M.; Paz Andrade, M.I.; Roux-Desgranges, G.; Grolier, J.-P.E.,
Unusual dependence on concentration of the excess heat capacities of ester solutions in alkanes,
Calorim. Anal. Therm., 1985, 16, 138-144. [all data]
Lainez, Rodrigo, et al., 1985
Lainez, A.; Rodrigo, M.; Roux, A.H.; Grolier, J.-P.E.; Wilhelm, E.,
Relations between structure and thermodynamic properties. Heat capacities of polar substances (nitrobenzene and benzonitrile) in alkane solutions,
Calorim. Anal. Therm., 1985, 16, 153-158. [all data]
Tanaka, Nakamichi, et al., 1985
Tanaka, R.; Nakamichi, T.; Murakami, S.,
Molar excess heat capacities and volumes for mixtures of benzomitrile with cyclohexane between 10 and 45°C,
J. Solution Chem., 1985, 14(11), 795-803. [all data]
Grolier, Inglese, et al., 1984
Grolier, J.-P.E.; Inglese, A.; Wilhelm, E.,
Excess molar heat capacities of (1,4-dioxane + an n-alkane): an unusual composition dependence,
J. Chem. Thermodynam., 1984, 16, 67-71. [all data]
Roux, Grolier, et al., 1984
Roux, A.H.; Grolier, J.-P.E.; Inglese, A.; Wilhelm, E.,
Excess molar enthalpies, excess molar heat capacities and excess molar volumes of (fluorobenzene + an n-alkane),
Ber. Bunsenges. Phys. Chem., 1984, 88, 986-992. [all data]
Kimura, Treszczanowicz, et al., 1983
Kimura, F.; Treszczanowicz, A.J.; Halpin, C.J.; Benson, G.C.,
Excess volumes and ultrasonic speeds for (di-n-propylether + n-heptane),
J. Chem. Thermodynam., 1983, 15, 503-510. [all data]
Tan, Zhou, et al., 1983
Tan, Z.; Zhou, L.; Chen, S.; Yin, A.; Sun, Y.; Ye, J.; Wang, X.,
An adiabatic calorimeter for heat-capacity measurements from 80 to 400 K - heat capacities of a-alumina and n-heptane, Sci. Sin.,
Ser. B (Engl. Ed.), 1983, 26, 1014-1026. [all data]
Tanaka, 1982
Tanaka, R.,
Determination of excess heat capacities of (benzene + tetrachloromethane and + cyclohexane) between 293.15 and 303.15 K by use of a Picker flow calorimeter,
J. Chem. Thermodynam., 1982, 14, 259-268. [all data]
Zaripov, 1982
Zaripov, Z.I.,
Experimental study of the isobaric heat capacity of liquid organic compounds with molecular weights of up to 4000 a.e.m., 1982, Teplomassoobmen Teplofiz. [all data]
Grolier, Inglese, et al., 1981
Grolier, J.P.E.; Inglese, A.; Roux, A.H.; Wilhelm, E.,
Thermodynamics of (1-chloronaphthalene + n-alkane): excess enthalpies, excess volumes and excess heat capacities,
Ber. Bunsenges. Phys. Chem., 1981, 85, 768-772. [all data]
Kalinowska, Jedlinska, et al., 1980
Kalinowska, B.; Jedlinska, J.; Woycicki, W.; Stecki, J.,
Heat capacities of liquids at temperatures between 90 and 300 K and at atmospheric pressure. I. Method and apparatus, and the heat capacities of n-heptane, n-hexane, and n-propanol,
J. Chem. Thermodynam., 1980, 12, 891-896. [all data]
Brown and Ziegler, 1979
Brown, G.N., Jr.; Ziegler, W.T.,
Temperature dependence of excess thermodynamic properties of ethanol + n-heptane and 2-propanol + n-heptane solutions,
J. Chem. Eng. Data, 1979, 24, 319-330. [all data]
Czarnota, 1979
Czarnota, I.,
Calorimetric system for measurement of specific heat capacity of liquids, Cp, at high pressures, Bull. Acad. Pol. Sci.,
Ser. Sci. Chim., 1979, 10, 763-772. [all data]
Grolier, Hamedi, et al., 1979
Grolier, J-P.E.; Hamedi, M.H.; Wilhelm, E.; Kehiaian, H.V.,
Excess heat capacities of binary mixtures of carbon tetrachloride with n-alkanes at 298.15 K,
Thermochim. Acta, 1979, 31, 79-84. [all data]
Schaake, Offringa, et al., 1979
Schaake, R.C.F.; Offringa, J.C.A.; van der Berg, G.J.K.; van Miltenburg, J.C.,
Phase transitions in solids, studied by adiabatic calorimetry. I. Design and test of an automatic adiabatic calorimeter,
J. Royal Netherlands Chem. Soc., 1979, 98, 408-412. [all data]
Woycicka and Kalinowska, 1978
Woycicka, M.; Kalinowska, B.,
Excess entahlpy and heat capacities of diluted propionic acid solutions in n-heptane, Bull. Acad. Pol. Sci.,
Ser. Sci. Chim., 1978, 26, 371-375. [all data]
Meijer, Blok, et al., 1977
Meijer, E.L.; Blok, J.G.; Kroon, J.; Oonk, H.A.J.,
The carvoxime system. IV. Heat capacities and enthalpies of melting of DL-carvoxime, L-carvoxime and standard n-heptane,
Thermochim. Acta, 1977, 20, 325-334. [all data]
Fortier and Benson, 1976
Fortier, J.-L.; Benson, G.C.,
Excess heat capacities of binary liquid mixtures determined with a Picker flow calorimeter,
J. Chem. Thermodynam., 1976, 8, 411-423. [all data]
Grigor'ev, Rastorguev, et al., 1975
Grigor'ev, B.A.; Rastorguev, Yu.L.; Yanin, G.S.,
Experimental determination of the isobaric specific heat of n-alkanes,
Iz. Vyssh. Uchebn. Zaved. Neft Gaz 18, 1975, No.10, 63-66. [all data]
Holzhauer and Ziegler, 1975
Holzhauer, J.K.; Ziegler, W.T.,
Temperature dependence of excess thermodynamic properties of n-heptane-toluene, methylcyclohexane-toluene, and n-heptane-methylcyclohexane systems,
J. Phys. Chem., 1975, 79(6), 590-604. [all data]
Woycicka and Kalinowska, 1975
Woycicka, M.K.; Kalinowska, B.,
Enthalpies of mixing and excess heat capacities of dilute solutions of n-decanol with n-heptane and n-tridecane, Bull. Acad. Pol. Sci.,
Ser. Sci. Chim., 1975, 23, 759-764. [all data]
Diaz pena and Renuncio, 1974
Diaz pena, M.D.; Renuncio, J.A.R.,
Construccion de un calorimetro adiabatico. Capacidad calorifica de mezclas n-hexano + n-hexadecano,
An. Quim., 1974, 70, 113-120. [all data]
Kalinowska and Woycicka, 1973
Kalinowska, B.; Woycicka, M.,
Excess heat capacities of dilute solutions of n-hexanol in n-alkanes,
Bull. Aca. Pol. Sci. (Ser. Sci. Chim.), 1973, 21(11), 845-848. [all data]
Van Miltenburg, 1972
Van Miltenburg, J.C.,
Construction of an adiabatic calorimeter. Thermodynamic properties of standard n-heptane from 155 to 270K and of 2,2-dichloropropane from 135 to 270K,
J. Chem. Thermodynam., 1972, 4, 773-782. [all data]
Oetting F.L., 1963
Oetting F.L.,
The heat capacity and entropy of 2-methyl-2-propanol from 15 to 330 K,
J. Phys. Chem., 1963, 67, 2757-2761. [all data]
McCullough and Messerly, 1961
McCullough, J.P.; Messerly, J.F.,
The chemical thermodynamic properties of hydrocarbons and related substances,
Bureau of Mines Bulletin, 1961, 596, pp. [all data]
Swietoslawski and Zielenkiewicz, 1958
Swietoslawski, W.; Zielenkiewicz, A.,
Mean specific heat of some ternary azeotropes,
Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1958, 6, 365-366. [all data]
Helfrey, Heiser, et al., 1955
Helfrey, P.F.; Heiser, D.A.; Sage, B.H.,
Isobaric heat capacities at bubble point, Two trimethylbenzenes and n-heptane,
Ind. Eng. Chem., 1955, 44, 2385-2388. [all data]
Ginnings and Furukawa, 1953
Ginnings, D.C.; Furukawa, G.T.,
Heat capacity standards for the range 14 to 1200°K,
J. Am. Chem. Soc., 1953, 75, 522-527. [all data]
Osborne and Ginnings, 1947
Osborne, N.S.; Ginnings, D.C.,
Measurements of heat of vaporization and heat capacity of a number of hydrocarbons,
J. Res. NBS, 1947, 39, 453-477. [all data]
Bykov, 1939
Bykov, V.T.,
Heat of mixing of liquids,
Zhur. Fiz. Khim., 1939, 13, 1013-1019. [all data]
Phillip, 1939
Phillip, N.M.,
Adiabatic and isothermal compressibilities of liquids,
Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]
Vold, 1937
Vold, R.D.,
A calorimetric test of the solubility equation for regular solutions,
J. Am. Chem. Soc., 1937, 59, 1515-1521. [all data]
Richards and Wallace, 1932
Richards, W.T.; Wallace, J.H., Jr.,
The specific heats of five organic liquids from their adiabatic temperature-pressure coefficients,
J. Am. Chem. Soc., 1932, 54, 2705-2713. [all data]
Willams and Daniels, 1924
Willams, J.W.; Daniels, F.,
The specific heats of certain organic liquids at elevated temperatures,
J. Am. Chem. Soc., 1924, 46, 903-917. [all data]
Ambrose and Tsonopoulos, 1995
Ambrose, D.; Tsonopoulos, C.,
Vapor-Liquid Critical Properties of Elements and Compounds. 2. Normal Alkenes,
J. Chem. Eng. Data, 1995, 40, 531-546. [all data]
Zawisza and Vejrosta, 1982
Zawisza, A.; Vejrosta, J.,
High-pressure liquid-vapor equilibria, critical stat, and p(V, T, x) up to 573.15 K and 5.066 MPa for (heptane + propan-1-ol),
J. Chem. Thermodyn., 1982, 14, 239-49. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Segura, Wisniak, et al., 2002
Segura, Hugo; Wisniak, Jaime; Galindo, Graciela; Reich, Ricardo,
Phase Equilibria in the Systems 1-Hexene + Heptane and 1-Hexene + Ethyl 1,1-Dimethylethyl Ether + Heptane at 94.00 kPa,
Physics and Chemistry of Liquids, 2002, 40, 1, 67-81, https://doi.org/10.1080/00319100208086650
. [all data]
Ortega, González, et al., 2001
Ortega, Juan; González, Carmelo; Galván, Salvador,
Vapor-Liquid Equilibria for Binary Systems Composed of a Propyl Ester (Ethanoate, Propanoate, Butanoate) + an n -Alkane (C 7 , C 9 ),
J. Chem. Eng. Data, 2001, 46, 4, 904-912, https://doi.org/10.1021/je000358a
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D.,
Vapor pressures and boiling points of sixty API-NBS hydrocarbons,
J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050
. [all data]
Michou-Saucet, Jose, et al., 1984
Michou-Saucet, Marie-Annie; Jose, Jacques; Michou-Saucet, Christian; Merlin, J.C.,
Pressions de vapeur et enthalpies libres d'exces de systemes binaires: Hexamethylphosphorotriamide (HMPT) + n-hexane; n-heptane; n-octane: A 298,15 K; 303,15 K; 313,15 K; 323,15 K; 333,15 K,
Thermochimica Acta, 1984, 75, 1-2, 85-106, https://doi.org/10.1016/0040-6031(84)85009-1
. [all data]
Sipowska and Wieczorek, 1984
Sipowska, Jadwiga T.; Wieczorek, Stefan A.,
Vapour pressures and excess Gibbs free energies of (cyclohexanol + n-heptane) between 303.147 and 373.278 K,
The Journal of Chemical Thermodynamics, 1984, 16, 7, 693-699, https://doi.org/10.1016/0021-9614(84)90051-X
. [all data]
Majer, Svoboda, et al., 1979
Majer, Vladimír; Svoboda, Václav; Hála, Slavoj; Pick, Jirí,
Temperature dependence of heats of vaporization of saturated hydrocarbons C5-C8; Experimental data and an estimation method,
Collect. Czech. Chem. Commun., 1979, 44, 3, 637-651, https://doi.org/10.1135/cccc19790637
. [all data]
Van Ness, Soczek, et al., 1967
Van Ness, Hendrick C.; Soczek, C.A.; Peloquin, G.L.; Machado, R.L.,
Thermodynamic excess properties of three alcohol-hydrocarbon systems,
J. Chem. Eng. Data, 1967, 12, 2, 217-224, https://doi.org/10.1021/je60033a017
. [all data]
Waddington, Todd, et al., 1947
Waddington, Guy; Todd, Samuel S.; Huffman, Hugh M.,
An Improved Flow Calorimeter. Experimental Vapor Heat Capacities and Heats of Vaporization of n-Heptane and 2,2,3-Trimethylbutane 1,
J. Am. Chem. Soc., 1947, 69, 1, 22-30, https://doi.org/10.1021/ja01193a007
. [all data]
Thomson, 1946
Thomson, George Wm.,
The Antoine Equation for Vapor-pressure Data.,
Chem. Rev., 1946, 38, 1, 1-39, https://doi.org/10.1021/cr60119a001
. [all data]
Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons,
J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009
. [all data]
Smith, 1940
Smith, E.R.,
Boiling points of n-heptane and 2,2,4-trimethylpentane over the range 100- to 1,500-millimeter pressure,
J. RES. NATL. BUR. STAN., 1940, 24, 3, 229-17, https://doi.org/10.6028/jres.024.010
. [all data]
Carruth and Kobayashi, 1973
Carruth, Grant F.; Kobayashi, Riki,
Vapor pressure of normal paraffins ethane through n-decane from their triple points to about 10 mm mercury,
J. Chem. Eng. Data, 1973, 18, 2, 115-126, https://doi.org/10.1021/je60057a009
. [all data]
Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons,
J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009
. [all data]
Bondi, 1963
Bondi, A.,
Heat of Siblimation of Molecular Crystals: A Catalog of Molecular Structure Increments.,
J. Chem. Eng. Data, 1963, 8, 3, 371-381, https://doi.org/10.1021/je60018a027
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Morse, Parker, et al., 1989
Morse, J.M., Jr.; Parker, G.H.; Burkey, T.J.,
Organometallics, 1989, 8, 2471. [all data]
Lewis, Golden, et al., 1984
Lewis, K.E.; Golden, D.M.; Smith, G.P.,
Organometallic bond dissociation energies: Laser pyrolysis of Fe(CO)5, Cr(CO)6, Mo(CO)6, and W(CO)6,
J. Am. Chem. Soc., 1984, 106, 3905. [all data]
Yang, Vaida, et al., 1988
Yang, G.K.; Vaida, V.; Peters, K.S.,
Polyhedron, 1988, 7, 1619. [all data]
Yang, Peters, et al., 1986
Yang, G.K.; Peters, K.S.; Vaida, V.,
Chem. Phys. Lett., 1986, 125, 566. [all data]
Johnson, Popov, et al., 1991
Johnson, F.P.A.; Popov, V.K.; George, M.W.; Bagratashvili, V.N.; Poliakoff, M.; Turner, J.J.,
Mendeleev Commun., 1991, 145.. [all data]
Rogers and Dejroongruang, 1988
Rogers, D.W.; Dejroongruang, K.,
Enthalpies of hydrogenation of the n-heptenes and the methylhexenes,
J. Chem. Thermodyn., 1988, 20, 675-680. [all data]
Rogers and Siddiqui, 1975
Rogers, D.W.; Siddiqui, N.A.,
Heats of hydrogenation of large molecules. I. Esters of unsaturated fatty acids,
J. Phys. Chem., 1975, 79, 574-577. [all data]
Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D.,
Heats of isomerization of the nine heptanes,
J. Res. NBS, 1941, 27, 519-528. [all data]
Burkey, 1990
Burkey, T.J.,
J. Am. Chem. Soc., 1990, 112, 8329. [all data]
Klassen, Selke, et al., 1990
Klassen, J.K.; Selke, M.; Sorensen, A.A.; Yang, G.K.,
J. Am. Chem. Soc., 1990, 112, 1267. [all data]
Yang and Yang, 1992
Yang, P.-F.; Yang, K.G.,
J. Am. Chem. Soc., 1992, 114, 6937. [all data]
Rogers, Dagdagan, et al., 1979
Rogers, D.W.; Dagdagan, O.A.; Allinger, N.L.,
Heats of hydrogenation and formation of linear alkynes and a molecular mechanics interpretation,
J. Am. Chem. Soc., 1979, 101, 671-676. [all data]
Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D.,
Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes,
Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]
Lias, 1982
Lias, S.G.,
Thermochemical information from ion-molecule rate constants,
Ion Cyclotron Reson. Spectrom. 1982, 1982, 409. [all data]
Mautner(Meot-Ner), Sieck, et al., 1981
Mautner(Meot-Ner), M.; Sieck, L.W.; Ausloos, P.,
Ionization of normal alkanes: Enthalpy, entropy, structural, and isotope effects,
J. Am. Chem. Soc., 1981, 103, 5342. [all data]
Lias, Ausloos, et al., 1976
Lias, S.G.; Ausloos, P.; Horvath, Z.,
Charge transfer reactions in alkane and cycloalkane systems. Estimated ionization potentials,
Int. J. Chem. Kinet., 1976, 8, 725. [all data]
Brehm, 1966
Brehm, B.,
Massenspektrometrische Untersuchung der Photoionisation von Molekulen,
Z. Naturforsch., 1966, 21a, 196. [all data]
Turner and Al-Joboury, 1964
Turner, D.W.; Al-Joboury, M.I.,
Molecular photoelectron spectroscopy,
Bull. Soc. Chim. Belges, 1964, 73, 428. [all data]
Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]
Olmsted, Street, et al., 1964
Olmsted, J., III; Street, K., Jr.; Newton, A.S.,
Excess-kinetic-energy ions in organic mass spectra,
J. Chem. Phys., 1964, 40, 2114. [all data]
Potzinger and Bunau, 1969
Potzinger, P.; Bunau, G.v.,
Empirische Beruksichtigung von Uberschussenergien bei der Auftrittspotentialbestimmung,
Ber. Bunsen-Ges. Phys. Chem., 1969, 73, 466. [all data]
Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G.,
Photoionization of alkanes. Dissociation of excited molecular ions,
J. Chem. Phys., 1961, 34, 189. [all data]
Lewis and Hamill, 1970
Lewis, D.; Hamill, W.H.,
Excited states of neutral molecular fragments from appearance potentials by electron impact in a mass spectrometer,
J. Chem. Phys., 1970, 52, 6348. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Ttrs Temperature of phase transition Vc Critical volume 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 ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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