Phenol, 3-methyl-5-(1-methylethyl)-
- Formula: C10H14O
- Molecular weight: 150.2176
- IUPAC Standard InChI: InChI=1S/C10H14O/c1-7(2)9-4-8(3)5-10(11)6-9/h4-7,11H,1-3H3
- IUPAC Standard InChIKey: ZDUIHRJGDMTBEX-UHFFFAOYSA-N
- CAS Registry Number: 3228-03-3
- 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. - Other names: 5-Isopropyl-3-methylphenol; 3-Isopropyl-5-methylphenol; 5-isopropyl-m-cresol
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, NIST Subscription 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -50.22 | kcal/mol | Ccb | Bertholon, Giray, et al., 1971 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas Chromatography, NIST Subscription 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -72. | kcal/mol | Ccb | Bertholon, Giray, et al., 1971 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -1347. | kcal/mol | Ccb | Bertholon, Giray, et al., 1971 | Corresponding ΔfHºsolid = -72. kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas Chromatography, NIST Subscription 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 514.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 514.15 | K | N/A | Karr, Estep, et al., 1961 | Uncertainty assigned by TRC = 4. K; TRC |
| Tboil | 514.15 | K | N/A | Karr, 1957 | Uncertainty assigned by TRC = 4. K; TRC |
| Tboil | 514.15 | K | N/A | White, 1954 | Uncertainty assigned by TRC = 4. K; TRC |
| Tboil | 514.15 | K | N/A | Knoevenagel, 1894 | Uncertainty assigned by TRC = 5. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 327.15 | K | N/A | Karr, 1957 | Uncertainty assigned by TRC = 3. K; TRC |
| Tfus | 322.55 | K | N/A | Hofer and Peebles, 1955 | Uncertainty assigned by TRC = 2. K; TRC |
| Tfus | 321.65 | K | N/A | White, 1954 | Uncertainty assigned by TRC = 2. K; TRC |
| Tfus | 322.65 | K | N/A | Horning, Horning, et al., 1949 | Uncertainty assigned by TRC = 2. K; TRC |
| Tfus | 327.15 | K | N/A | Knoevenagel, 1894 | Uncertainty assigned by TRC = 3. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 21.78 | kcal/mol | C | Bertholon, Giray, et al., 1971 | ALS |
| ΔsubH° | 21.5 | kcal/mol | N/A | Bertholon, Giray, et al., 1971 | DRB |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 375.7 | 0.005 | Weast and Grasselli, 1989 | BS |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, NIST Subscription 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2287. | Lee, Umano, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SOLGel-Wax | 2197. | Shu and Shen, 2008 | 30. m/0.53 mm/0.50 μm, Helium; Program: 40 0C 7 0C/min -> 180 0C 10 0C/min -> 240 0C (10 min) |
| Capillary | SOLGel-Wax | 2204. | Shu and Shen, 2008 | 30. m/0.53 mm/0.50 μm, Helium; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bertholon, Giray, et al., 1971
Bertholon, G.; Giray, M.; Perrin, R.; Vincent-Falquet-Berny, M.F.,
No. 532. - Etude physicochimique des phenols. OX. - Ethanlpies de combustion et energies de resonance des alcoyl et aryphenols,
Bull. Soc. Chim. France, 1971, 3180-3187. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Karr, Estep, et al., 1961
Karr, C.; Estep, P.A.; Chang, T.-C.L.; Comberiati, H.R.,
, U. S. Bur. Mines, Bull. 591, 1961. [all data]
Karr, 1957
Karr, C.,
, U. S. Bur. Mines, Inform. Circ. IC 7802, 1957. [all data]
White, 1954
White, E.N.,
5th Tar Conf. Coal Tar Res. Assoc. Rept. 0124, 1954, England, 1954. [all data]
Knoevenagel, 1894
Knoevenagel, E.,
Chem. Ber., 1894, 27, 2347. [all data]
Hofer and Peebles, 1955
Hofer; Peebles,
Anal. Chem., 1955, 27, 1852. [all data]
Horning, Horning, et al., 1949
Horning; Horning; Walker,
J. Am. Chem. Soc., 1949, 71, 169. [all data]
Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G.,
Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties,
Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056
. [all data]
Shu and Shen, 2008
Shu, N.; Shen, H.,
Aroma-impact compounds in Lysimachia foenum-graecum extracts,
Flavour Fragr. J., 2008, 24, 1, 1-6, https://doi.org/10.1002/ffj.1908
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas Chromatography, NIST Subscription Links, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.