Methyl valerate
- Formula: C6H12O2
- Molecular weight: 116.1583
- IUPAC Standard InChIKey: HNBDRPTVWVGKBR-UHFFFAOYSA-N
- CAS Registry Number: 624-24-8
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Pentanoic acid, methyl ester; Valeric acid, methyl ester; Methyl n-valerate; Methyl pentanoate; Methyl valerianate; CH3(CH2)3COOCH3; n-Valeric acid methyl ester; Methyl ester of pentanoic acid
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Phase change data
Go To: Top, Mass spectrum (electron ionization), 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 410. ± 40. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 182.5 | K | N/A | Adriaanse, Dekker, et al., 1964 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 556.7 | K | N/A | De Heen, 1888 | Uncertainty assigned by TRC = 20. K; TRC |
Tc | 566.9 | K | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 20. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 31.90 | bar | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 2.0265 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.40 | mol/l | N/A | Nadezhdin, 1887 | Uncertainty assigned by TRC = 0.17 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 43. ± 2. | kJ/mol | AVG | N/A | Average of 12 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
44.1 ± 0.1 | 350. to 415. | EB | Camacho, Moll, et al., 2007 | AC |
44.4 | 296. | N/A | Camacho, Mariano, et al., 2006 | Based on data from 281. to 547. K. See also Camacho, 2006.; AC |
39.2 | 379. | N/A | Ortega, Espiau, et al., 2003 | Based on data from 364. to 417. K.; AC |
41.3 | 350. | N/A | van Genderen, van Miltenburg, et al., 2002 | AC |
42.5 | 312. | A | Stephenson and Malanowski, 1987 | Based on data from 297. to 411. K.; AC |
Mass spectrum (electron ionization)
Go To: Top, Phase change 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
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 | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 291489 |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Adriaanse, Dekker, et al., 1964
Adriaanse, N.; Dekker, H.; Coops, J.,
Some Physical Constants of Normal, Saturated Fatty Acids and Their Methyl Esters,
Recl. Trav. Chim. Pays-Bas, 1964, 83, 557. [all data]
De Heen, 1888
De Heen, P.,
Research on Physics and Theory of Liquids, Experimental Part Paris, 1888. [all data]
Nadezhdin, 1887
Nadezhdin, A.,
Rep. Phys., 1887, 23, 708. [all data]
Camacho, Moll, et al., 2007
Camacho, Alberto G.; Moll, Juan M.; Canzonieri, Salvador; Postigo, Miguel A.,
Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Propanenitrile (2) Systems at 93.32 kPa,
J. Chem. Eng. Data, 2007, 52, 3, 871-875, https://doi.org/10.1021/je060469v
. [all data]
Camacho, Mariano, et al., 2006
Camacho, Alberto G.; Mariano, Alejandra; Mussari, Lelia; Postigo, Miguel A.,
Vapor-Liquid Equilibrium Data for the Binary Methyl Esters (Butyrate, Pentanoate, and Hexanoate) (1) + Acetonitrile (2) Systems at 93.32 kPa,
J. Chem. Eng. Data, 2006, 51, 5, 1536-1540, https://doi.org/10.1021/je060001s
. [all data]
Camacho, 2006
Camacho, A.G.,
, Ph.D. Thesis, Universidad Nacional de Tucuman, 2006. [all data]
Ortega, Espiau, et al., 2003
Ortega, Juan; Espiau, Fernando; Tojo, José; Canosa, José; Rodríguez, Ana,
Isobaric Vapor-Liquid Equilibria and Excess Properties for the Binary Systems of Methyl Esters + Heptane,
J. Chem. Eng. Data, 2003, 48, 5, 1183-1190, https://doi.org/10.1021/je030117d
. [all data]
van Genderen, van Miltenburg, et al., 2002
van Genderen, Aad C.G.; van Miltenburg, J. Cees; Blok, Jacobus G.; van Bommel, Mark J.; van Ekeren, Paul J.; van den Berg, Gerrit J.K.; Oonk, Harry A.J.,
Liquid--vapour equilibria of the methyl esters of alkanoic acids: vapour pressures as a function of temperature and standard thermodynamic function changes,
Fluid Phase Equilibria, 2002, 202, 1, 109-120, https://doi.org/10.1016/S0378-3812(02)00097-3
. [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]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point 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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