Butanoic acid, hexyl ester

Formula: C₁₀H₂₀O₂
Molecular weight: 172.2646
IUPAC Standard InChI: InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
IUPAC Standard InChIKey: XAPCMTMQBXLDBB-UHFFFAOYSA-N
CAS Registry Number: 2639-63-6
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:
- hexyl-d3 butanoate-d3
- hexyl-d3 butanoate
Other names: Butyric acid, hexyl ester; n-Hexyl butanoate; n-Hexyl butyrate; n-Hexyl n-butyrate; Hexyl butanoate; Hexyl butyrate; 1-Hexyl butyrate; n-Hexyl n-butanoate; Esyl butanoate
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
Options:
- Switch to calorie-based units

Data at NIST subscription sites:

NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Phase change data

Go To: Top, References, Notes

Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director

Quantity	Value	Units	Method	Reference	Comment
T_boil	466.	K	N/A	Musaev, Mekhtiev, et al., 1967	Uncertainty assigned by TRC = 2. K
T_boil	478.25	K	N/A	Hoffmann, 1959	Uncertainty assigned by TRC = 1. K
T_boil	481.03	K	N/A	Bilterys and Gisseleire, 1935	Uncertainty assigned by TRC = 0.3 K
T_boil	478.3	K	N/A	Gartenmeister, 1886	Uncertainty assigned by TRC = 1.5 K
Quantity	Value	Units	Method	Reference	Comment
T_fus	195.2	K	N/A	Bilterys and Gisseleire, 1935	Uncertainty assigned by TRC = 0.5 K

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

References

Go To: Top, Phase change data, Notes

Musaev, Mekhtiev, et al., 1967
Musaev; Mekhtiev; Abilova, Sint. Prevrashch. Monomernykh Soedin., 1967, 1967, 33-5. [all data]

Hoffmann, 1959
Hoffmann, W.L., Riechst. Aromen, 1959, 9, 273. [all data]

Bilterys and Gisseleire, 1935
Bilterys, R.; Gisseleire, J., Investigations on the Congelation Temperature of Organic Compounds, Bull. Soc. Chim. Belg., 1935, 44, 567. [all data]

Gartenmeister, 1886
Gartenmeister, R., Investigation of the physical characterstics of liquid compounds: vi boiling point and specific volume of normal fatty acid esters, Justus Liebigs Ann. Chem., 1886, 233, 249-315. [all data]

Notes

Go To: Top, Phase change data, References

Symbols used in this document:

T_boil Boiling point

T_fus Fusion (melting) point
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.