Propanoic acid, 2-methyl- (CAS 79-31-2)

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Physical Properties

Property	Value	Unit	Source
ω	0.6230		KDB
μ	1.30	debye	KDB
Δ_fG°	-285.38	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-484.20	kJ/mol	KDB
Δ_fusH°	8.28	kJ/mol	Joback Calculated Property
Δ_vapH°	[53.00; 56.30]	kJ/mol
Δ_vapH°	56.30	kJ/mol	NIST
Δ_vapH°	55.50 ± 0.30	kJ/mol	NIST
Δ_vapH°	53.00	kJ/mol	NIST
Δ_vapH°	53.40 ± 3.00	kJ/mol	NIST
Δ_vapH°	53.00 ± 4.00	kJ/mol	NIST
IE	[10.02; 10.33]	eV
IE	10.24 ± 0.12	eV	NIST
IE	10.12	eV	NIST
IE	10.33 ± 0.01	eV	NIST
IE	10.33	eV	NIST
IE	10.33 ± 0.03	eV	NIST
IE	10.02 ± 0.05	eV	NIST
IE	10.30	eV	NIST
log₁₀WS	0.28		Aq. Solubility Prediction
logP_oct/wat	0.727		Crippen Calculated Property
McVol	74.660	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	1		KDB
P_c	[3700.00; 3700.00]	kPa
P_c	3700.00	kPa	KDB
P_c	3700.00 ± 25.00	kPa	NIST
I_np	[723.00; 803.90]
I_np	792.00		NIST
I_np	785.00		NIST
I_np	790.00		NIST
I_np	793.00		NIST
I_np	765.00		NIST
I_np	732.00		NIST
I_np	723.00		NIST
I_np	738.00		NIST
I_np	752.00		NIST
I_np	793.00		NIST
I_np	789.00		NIST
I_np	774.00		NIST
I_np	779.00		NIST
I_np	758.00		NIST
I_np	753.00		NIST
I_np	738.00		NIST
I_np	758.00		NIST
I_np	744.00		NIST
I_np	803.90		NIST
I_np	797.00		NIST
I_np	775.00		NIST
I_np	790.00		NIST
I_np	790.00		NIST
I_np	793.00		NIST
I_np	793.00		NIST
I_np	780.00		NIST
I_np	741.00		NIST
I_np	739.00		NIST
I_np	775.00		NIST
I_np	775.00		NIST
I_np	796.00		NIST
I_np	753.00		NIST
I_np	723.00		NIST
I_np	758.00		NIST
I_np	731.00		NIST
I_np	731.00		NIST
I_np	757.00		NIST
I_np	757.00		NIST
I_np	756.00		NIST
I_np	744.00		NIST
I_np	790.00		NIST
I_np	767.00		NIST
I_np	770.00		NIST
I_np	765.00		NIST
I_np	758.00		NIST
I_np	774.00		NIST
I_np	758.00		NIST
I_np	790.00		NIST
I_np	741.00		NIST
I_np	753.00		NIST
I	[1520.00; 1618.00]
I	1574.00		NIST
I	1581.00		NIST
I	1584.00		NIST
I	1544.00		NIST
I	1544.00		NIST
I	1585.00		NIST
I	1539.00		NIST
I	1554.00		NIST
I	1588.00		NIST
I	1587.00		NIST
I	1549.00		NIST
I	1588.00		NIST
I	1579.00		NIST
I	1585.00		NIST
I	Outlier 1520.00		NIST
I	1572.00		NIST
I	1580.00		NIST
I	1556.00		NIST
I	1555.00		NIST
I	Outlier 1520.00		NIST
I	1547.00		NIST
I	1571.00		NIST
I	1556.00		NIST
I	1556.00		NIST
I	1549.00		NIST
I	1573.00		NIST
I	1575.00		NIST
I	1576.00		NIST
I	1564.00		NIST
I	1575.00		NIST
I	1576.00		NIST
I	1575.00		NIST
I	1567.00		NIST
I	1574.00		NIST
I	1571.00		NIST
I	1558.00		NIST
I	1584.00		NIST
I	1584.00		NIST
I	1595.00		NIST
I	1556.00		NIST
I	1584.00		NIST
I	Outlier 1608.00		NIST
I	1553.00		NIST
I	1562.00		NIST
I	1570.00		NIST
I	1571.00		NIST
I	1565.00		NIST
I	1548.00		NIST
I	1578.00		NIST
I	1586.00		NIST
I	1552.00		NIST
I	1546.00		NIST
I	1579.00		NIST
I	1585.00		NIST
I	1570.00		NIST
I	1572.00		NIST
I	1552.00		NIST
I	1555.00		NIST
I	1555.00		NIST
I	1585.00		NIST
I	1561.00		NIST
I	1553.00		NIST
I	1572.00		NIST
I	1569.00		NIST
I	1592.00		NIST
I	1571.00		NIST
I	1575.00		NIST
I	1579.00		NIST
I	1585.00		NIST
I	1579.00		NIST
I	1588.00		NIST
I	1584.00		NIST
I	1583.00		NIST
I	1557.00		NIST
I	1588.00		NIST
I	1555.00		NIST
I	1570.00		NIST
I	1571.00		NIST
I	1565.00		NIST
I	1586.00		NIST
I	1588.00		NIST
I	1535.00		NIST
I	1535.00		NIST
I	1554.00		NIST
I	1584.00		NIST
I	1584.00		NIST
I	1535.00		NIST
I	1565.00		NIST
I	1565.00		NIST
I	Outlier 1524.00		NIST
I	1535.00		NIST
I	1568.00		NIST
I	1560.00		NIST
I	1587.00		NIST
I	1551.00		NIST
I	1553.00		NIST
I	1561.00		NIST
I	1576.00		NIST
I	1578.00		NIST
I	1535.00		NIST
I	1579.00		NIST
I	1560.00		NIST
I	1570.00		NIST
I	1555.00		NIST
I	1560.00		NIST
I	1570.00		NIST
I	1600.00		NIST
I	1566.00		NIST
I	1568.00		NIST
I	1573.00		NIST
I	1566.00		NIST
I	Outlier 1533.00		NIST
I	1577.00		NIST
I	1564.00		NIST
I	1570.00		NIST
I	1571.00		NIST
I	1538.00		NIST
I	Outlier 1618.00		NIST
I	1563.00		NIST
I	1568.00		NIST
I	1597.00		NIST
I	1566.00		NIST
I	1568.00		NIST
I	1549.00		NIST
I	1571.00		NIST
I	1594.00		NIST
I	1565.00		NIST
I	1590.00		NIST
I	1563.00		NIST
I	1569.00		NIST
I	1591.00		NIST
I	1560.00		NIST
I	1570.00		NIST
I	1557.00		NIST
I	1561.00		NIST
I	1574.00		NIST
I	1581.00		NIST
I	1539.00		NIST
I	1588.00		NIST
I	1580.00		NIST
I	1571.00		NIST
I	1575.00		NIST
I	1558.00		NIST
I	1584.00		NIST
T_boil	[421.65; 429.15]	K
T_boil	427.60	K	KDB
T_boil	426.40	K	NIST
T_boil	427.50 ± 1.00	K	NIST
T_boil	427.85 ± 0.20	K	NIST
T_boil	426.65 ± 3.00	K	NIST
T_boil	429.15 ± 5.00	K	NIST
T_boil	427.65 ± 0.20	K	NIST
T_boil	427.40 ± 0.60	K	NIST
T_boil	427.25 ± 0.50	K	NIST
T_boil	427.55 ± 0.50	K	NIST
T_boil	425.15 ± 2.00	K	NIST
T_boil	426.90 ± 0.60	K	NIST
T_boil	427.75 ± 0.30	K	NIST
T_boil	426.55 ± 0.50	K	NIST
T_boil	427.15 ± 3.00	K	NIST
T_boil	426.65 ± 2.00	K	NIST
T_boil	Outlier 421.65 ± 5.00	K	NIST
T_boil	427.15 ± 1.00	K	NIST
T_boil	427.85 ± 0.10	K	NIST
T_boil	427.40 ± 1.00	K	NIST
T_boil	427.75 ± 0.40	K	NIST
T_boil	426.15 ± 2.00	K	NIST
T_boil	427.50 ± 0.20	K	NIST
T_boil	428.50 ± 1.00	K	NIST
T_boil	427.50 ± 0.20	K	NIST
T_boil	427.50 ± 0.20	K	NIST
T_boil	428.15 ± 2.00	K	NIST
T_boil	427.50 ± 0.20	K	NIST
T_boil	426.65 ± 2.00	K	NIST
T_boil	426.15 ± 2.00	K	NIST
T_boil	425.65 ± 3.00	K	NIST
T_boil	426.95 ± 0.70	K	NIST
T_boil	Outlier 421.65 ± 3.00	K	NIST
T_boil	426.65 ± 1.00	K	NIST
T_boil	426.15 ± 1.00	K	NIST
T_boil	425.15 ± 1.00	K	NIST
T_boil	426.65 ± 1.00	K	NIST
T_boil	426.40 ± 1.00	K	NIST
T_boil	427.15 ± 1.00	K	NIST
T_boil	427.25 ± 1.00	K	NIST
T_boil	427.00 ± 2.00	K	NIST
T_boil	427.26 ± 0.50	K	NIST
T_boil	427.15 ± 1.00	K	NIST
T_c	[605.00; 609.40]	K
T_c	605.00	K	KDB
T_c	605.00 ± 1.50	K	NIST
T_c	609.40 ± 6.00	K	NIST
T_fus	[225.25; 228.15]	K
T_fus	227.00	K	KDB
T_fus	226.90	K	Aq. Solubility Prediction
T_fus	227.05 ± 0.20	K	NIST
T_fus	227.20 ± 0.60	K	NIST
T_fus	227.05 ± 0.50	K	NIST
T_fus	227.00 ± 2.00	K	NIST
T_fus	227.15 ± 0.40	K	NIST
T_fus	Outlier 225.25 ± 0.40	K	NIST
T_fus	228.15 ± 2.00	K	NIST
V_c	0.292	m³/kmol	KDB
Z_c	0.2147790		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[146.25; 183.06]	J/mol×K	[436.53; 614.26]

C_p,gas	146.25	J/mol×K	436.53	Joback Calculated Property
C_p,gas	153.06	J/mol×K	466.15	Joback Calculated Property
C_p,gas	159.59	J/mol×K	495.77	Joback Calculated Property
C_p,gas	165.85	J/mol×K	525.39	Joback Calculated Property
C_p,gas	171.84	J/mol×K	555.02	Joback Calculated Property
C_p,gas	177.58	J/mol×K	584.64	Joback Calculated Property
C_p,gas	183.06	J/mol×K	614.26	Joback Calculated Property
C_p,liquid	[171.10; 181.70]	J/mol×K	[298.00; 298.15]
C_p,liquid	171.10	J/mol×K	298.00	NIST
C_p,liquid	181.70	J/mol×K	298.15	NIST
C_p,liquid	173.00	J/mol×K	298.15	NIST
η	[0.0002698; 0.0663519]	Pa×s	[230.59; 436.53]

η	0.0663519	Pa×s	230.59	Joback Calculated Property
η	0.0146308	Pa×s	264.91	Joback Calculated Property
η	0.0045636	Pa×s	299.24	Joback Calculated Property
η	0.0018091	Pa×s	333.56	Joback Calculated Property
η	0.0008524	Pa×s	367.88	Joback Calculated Property
η	0.0004566	Pa×s	402.21	Joback Calculated Property
η	0.0002698	Pa×s	436.53	Joback Calculated Property
Δ_vapH	[45.40; 55.80]	kJ/mol	[235.50; 495.00]

Δ_vapH	53.00 ± 3.00	kJ/mol	235.50	NIST
Δ_vapH	55.80 ± 0.30	kJ/mol	293.00	NIST
Δ_vapH	50.90	kJ/mol	358.00	NIST
Δ_vapH	51.60	kJ/mol	394.50	NIST
Δ_vapH	50.50	kJ/mol	400.50	NIST
Δ_vapH	45.40	kJ/mol	495.00	NIST
P_vap	[14.55; 100.59]	kPa	[375.21; 426.16]

P_vap	14.55	kPa	375.21	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
P_vap	19.58	kPa	382.14	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
P_vap	29.65	kPa	391.77	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
P_vap	39.72	kPa	399.43	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
P_vap	49.79	kPa	405.44	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
P_vap	59.85	kPa	410.75	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
P_vap	69.92	kPa	415.51	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
P_vap	79.99	kPa	419.77	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
P_vap	90.07	kPa	423.36	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
P_vap	95.10	kPa	424.86	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
P_vap	100.59	kPa	426.16	Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
n₀	[1.38930; 1.39330]		[293.15; 303.15]

n₀	1.39330		293.15	Vapour liquid equilibrium of carboxylic acid systems: Propionic acid + valeric acid and isobutyric acid + valeric acid
n₀	1.39310		293.15	Vapour-liquid equilibrium of propionic acid + caproic acid, isobutyric acid + caproic acid, valeric acid + caproic acid and caproic acid + enanthoic acid binary mixtures
n₀	1.38930		303.15	Liquid liquid equilibria measurements of ternary systems (acetonitrile + a carboxylic acid + dodecane) at 303.15 K
n₀	1.38930		303.15	Phase equilibria measurements of ternary mixtures (sulfolane + a carboxylic acid + pentane) at 303.15 K
n₀	1.39130		303.15	(Liquid + liquid) equilibria measurements for ternary systems (sulfolane + a carboxylic acid + n-heptane) at T = 303.15 K and at 0.1 MPa
ρ_l	[927.96; 968.00]	kg/m³	[293.00; 313.15]

ρ_l	968.00	kg/m³	293.00	KDB
ρ_l	948.23	kg/m³	293.15	Density, speed of sound, and refractive index measurements for the binary systems (butanoic acid + propanoic acid, or 2-methyl-propanoic acid) at T = (293.15 to 313.15) K
ρ_l	943.19	kg/m³	298.15	Density, speed of sound, and refractive index measurements for the binary systems (butanoic acid + propanoic acid, or 2-methyl-propanoic acid) at T = (293.15 to 313.15) K
ρ_l	941.63	kg/m³	298.15	Tie-Line Data for Aqueous Mixtures of Butyric Acid with Diisopropyl Ether at Various Temperatures
ρ_l	941.63	kg/m³	298.20	Phase equilibria of (water + propionic acid or butyric acid + 2-methoxy- 2-methylpropane) ternary systems at 298.2 K and 323.2 K
ρ_l	938.12	kg/m³	303.15	Density, speed of sound, and refractive index measurements for the binary systems (butanoic acid + propanoic acid, or 2-methyl-propanoic acid) at T = (293.15 to 313.15) K
ρ_l	933.05	kg/m³	308.15	Density, speed of sound, and refractive index measurements for the binary systems (butanoic acid + propanoic acid, or 2-methyl-propanoic acid) at T = (293.15 to 313.15) K
ρ_l	927.96	kg/m³	313.15	Density, speed of sound, and refractive index measurements for the binary systems (butanoic acid + propanoic acid, or 2-methyl-propanoic acid) at T = (293.15 to 313.15) K
c_sound,fluid	[1015.20; 1100.20]	m/s	[295.15; 313.15]

c_sound,fluid	1100.20	m/s	295.15	Density, Speed of Sound, and Refractive Index Measurements for the Binary Mixture (1, 4-Dioxane + Isobutyric Acid) at T = (295.15, 298.15, 301.15, 304.15, 307.15, 310.15, and 313.15) K
c_sound,fluid	1086.00	m/s	298.15	Density, Speed of Sound, and Refractive Index Measurements for the Binary Mixture (1, 4-Dioxane + Isobutyric Acid) at T = (295.15, 298.15, 301.15, 304.15, 307.15, 310.15, and 313.15) K
c_sound,fluid	1072.10	m/s	301.15	Density, Speed of Sound, and Refractive Index Measurements for the Binary Mixture (1, 4-Dioxane + Isobutyric Acid) at T = (295.15, 298.15, 301.15, 304.15, 307.15, 310.15, and 313.15) K
c_sound,fluid	1058.20	m/s	304.15	Density, Speed of Sound, and Refractive Index Measurements for the Binary Mixture (1, 4-Dioxane + Isobutyric Acid) at T = (295.15, 298.15, 301.15, 304.15, 307.15, 310.15, and 313.15) K
c_sound,fluid	1043.40	m/s	307.15	Density, Speed of Sound, and Refractive Index Measurements for the Binary Mixture (1, 4-Dioxane + Isobutyric Acid) at T = (295.15, 298.15, 301.15, 304.15, 307.15, 310.15, and 313.15) K
c_sound,fluid	1030.80	m/s	310.15	Density, Speed of Sound, and Refractive Index Measurements for the Binary Mixture (1, 4-Dioxane + Isobutyric Acid) at T = (295.15, 298.15, 301.15, 304.15, 307.15, 310.15, and 313.15) K
c_sound,fluid	1015.20	m/s	313.15	Density, Speed of Sound, and Refractive Index Measurements for the Binary Mixture (1, 4-Dioxane + Isobutyric Acid) at T = (295.15, 298.15, 301.15, 304.15, 307.15, 310.15, and 313.15) K

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.63]	kPa	[325.47; 451.21]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55638e+01
Coefficient B			-3.91998e+03
Coefficient C			-6.88650e+01
Temperature range, min.			325.47
Temperature range, max.			451.21

P_vap	1.33	kPa	325.47	Calculated Property
P_vap	2.93	kPa	339.44	Calculated Property
P_vap	5.98	kPa	353.41	Calculated Property
P_vap	11.39	kPa	367.38	Calculated Property
P_vap	20.48	kPa	381.35	Calculated Property
P_vap	35.03	kPa	395.33	Calculated Property
P_vap	57.35	kPa	409.30	Calculated Property
P_vap	90.29	kPa	423.27	Calculated Property
P_vap	137.35	kPa	437.24	Calculated Property
P_vap	202.63	kPa	451.21	Calculated Property
P_vap	[2.85e-04; 3728.78]	kPa	[227.15; 609.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			2.66544e+01
Coefficient B			-6.77334e+03
Coefficient C			-8.78498e-01
Coefficient D			-4.52289e-06
Temperature range, min.			227.15
Temperature range, max.			609.15

P_vap	2.85e-04	kPa	227.15	Calculated Property
P_vap	0.02	kPa	269.59	Calculated Property
P_vap	0.58	kPa	312.04	Calculated Property
P_vap	6.18	kPa	354.48	Calculated Property
P_vap	37.36	kPa	396.93	Calculated Property
P_vap	151.32	kPa	439.37	Calculated Property
P_vap	454.66	kPa	481.82	Calculated Property
P_vap	1086.14	kPa	524.26	Calculated Property
P_vap	2165.08	kPa	566.71	Calculated Property
P_vap	3728.78	kPa	609.15	Calculated Property

Similar Compounds

Propanoic acid, 2-methyl-, methyl ester.

Propanoic acid, 3-bromo-2-(bromomethyl)-.

Find more compounds similar to Propanoic acid, 2-methyl-.

Mixtures

Sources

KDB Vapor Pressure Data
Crippen Method
Vapour liquid equilibrium of carboxylic acid systems: Propionic acid + valeric acid and isobutyric acid + valeric acid
Resistivity viscosity relationship in liquid liquid critical mixtures with added ions
Vapour-liquid equilibrium of propionic acid + caproic acid, isobutyric acid + caproic acid, valeric acid + caproic acid and caproic acid + enanthoic acid binary mixtures
Liquid liquid equilibria measurements of ternary systems (acetonitrile + a carboxylic acid + dodecane) at 303.15 K
Phase equilibria of (water + propionic acid or butyric acid + 2-methoxy- 2-methylpropane) ternary systems at 298.2 K and 323.2 K
Phase equilibria measurements of ternary mixtures (sulfolane + a carboxylic acid + pentane) at 303.15 K
Density, speed of sound, and refractive index measurements for the binary systems (butanoic acid + propanoic acid, or 2-methyl-propanoic acid) at T = (293.15 to 313.15) K
(Liquid + liquid) equilibria measurements for ternary systems (sulfolane + a carboxylic acid + n-heptane) at T = 303.15 K and at 0.1 MPa
Liquid-liquid equilibrium for the system of ionic liquid [BMIm][HSO4] catalysed isobutyl isobutyrate formation
Tie-Line Data for Aqueous Mixtures of Butyric Acid with Diisopropyl Ether at Various Temperatures
Subatmospheric Vapor Pressure Curves for Propionic Acid, Butyric Acid, Isobutyric Acid, Valeric Acid, Isovaleric Acid, Hexanoic Acid, and Heptanoic Acid
Salting-Out Effect of NaCl and KCl on the Liquid Liquid Equilibrium of Water + 2-Methylpropanoic Acid + (1-Methylethyl)-benzene System at Several Temperatures
Density, Speed of Sound, and Refractive Index Measurements for the Binary Mixture (1, 4-Dioxane + Isobutyric Acid) at T = (295.15, 298.15, 301.15, 304.15, 307.15, 310.15, and 313.15) K
Chemical Equilibrium and Critical Phenomena: Solubility of Indium Oxide in Isobutyric Acid + Water Near the Consolute Point
Joback Method
KDB
Aqueous Solubility Prediction Method
McGowan Method
NIST Webbook
The Yaws Handbook of Vapor Pressure

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Chemical Properties of Propanoic acid, 2-methyl- (CAS 79-31-2)