This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.

IR Spectrum. 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, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes. Data compiled by: Coblentz Society, Inc.

IR Spectrum; Mass spectrum (electron ionization) UV/Visible spectrum; Gas Chromatography; Data at other public NIST sites: Gas Phase Kinetics Database; X-ray Photoelectron Spectroscopy Database, version 5.0; Options: Switch to calorie-based units; Data at NIST subscription sites:

Proton affinity (kJ/mol) Reference Comment; 863.5 ± 0.5: Tabrizchi and Shooshtari, 2003: T = 413-467K; Authors report only relative PAs. Absolute values are referenced here to PA(CH3COOC2H5) = 835.7 kJ/mol as listed in Hunter and Lias, 1998, although average PA(CH3COOC2H5) from the literature sources in Hunter and Lias, 1998 is 831.0 kJ/mol; MM

IUPAC Standard InChI: InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3 Copy IUPAC Standard InChIKey: FXLOVSHXALFLKQ-UHFFFAOYSA-N Copy CAS Registry Number: 104-87-0

IUPAC Standard InChI: InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2 Copy IUPAC Standard InChIKey: DTUQWGWMVIHBKE-UHFFFAOYSA-N Copy CAS Registry Number: 122-78-1

IUPAC Standard InChI: InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2 Copy IUPAC Standard InChIKey: DTUQWGWMVIHBKE-UHFFFAOYSA-N Copy CAS Registry Number: 122-78-1

IUPAC Standard InChI: InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3 Copy IUPAC Standard InChIKey: FXLOVSHXALFLKQ-UHFFFAOYSA-N Copy CAS Registry Number: 1334-78-7

IUPAC Standard InChI: InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2 Copy IUPAC Standard InChIKey: DTUQWGWMVIHBKE-UHFFFAOYSA-N Copy CAS Registry Number: 122-78-1

Quantity Value Units Method Reference Comment; T boil: 475. ± 1. K: AVG: N/A: Average of 11 values; Individual data points Quantity Value Units Method Reference Comment; T fus: 293.0 ± 0.6: K: AVG: N/A: Average of 7 values; Individual data points Quantity