Chemical Properties of 3-Pentanol (CAS 584-02-1)

InChI

InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3

InChI Key

AQIXEPGDORPWBJ-UHFFFAOYSA-N

Formula

C5H12O

SMILES

CCC(O)CC

Molecular Weight¹

88.15

CAS

584-02-1

Other Names

• (C2H5)2CHOH
• 1-Ethyl-1-propanol
• 3-PENTYL ALCOHOL
• DIETHYL CARBINOL
• ISOAMYL ALCOHOL
• NSC 8654
• Pentan-3-ol
• Pentanol-3
• UN 2706
• sec-Amyl alcohol
• sec-Pentanol
• sec-Pentyl alcohol

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• c_sound,fluid : Speed of sound in fluid (m/s).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-3312.30 ± 0.46	kJ/mol	NIST
ΔfG°	-148.04	kJ/mol	Joback Calculated Property
ΔfH°gas	[-318.60; -314.70]	kJ/mol
ΔfH°gas	-317.20	kJ/mol	NIST
ΔfH°gas	-314.70 ± 1.10	kJ/mol	NIST
ΔfH°gas	-318.60 ± 1.50	kJ/mol	NIST
ΔfH°liquid	[-370.30; -368.90]	kJ/mol
ΔfH°liquid	-368.90 ± 0.79	kJ/mol	NIST
ΔfH°liquid	-370.30 ± 0.59	kJ/mol	NIST
ΔfusH°	1.66	kJ/mol	Heat Ca...
ΔvapH°	[51.70; 54.03]	kJ/mol
ΔvapH°	54.03	kJ/mol	NIST
ΔvapH°	53.20 ± 0.10	kJ/mol	NIST
ΔvapH°	51.70 ± 1.30	kJ/mol	NIST
ΔvapH°	52.90	kJ/mol	NIST
IE	[9.73; 10.25]	eV
IE	9.76 ± 0.02	eV	NIST
IE	9.78 ± 0.07	eV	NIST
IE	9.78	eV	NIST
IE	9.78	eV	NIST
IE	9.73	eV	NIST
IE	Outlier 10.25	eV	NIST
log10WS	[-0.24; -0.24]
log10WS	-0.24		Aq. Sol...
log10WS	-0.24		Estimat...
logPoct/wat	1.167		Crippen Calculated Property
McVol	87.180	ml/mol	McGowan Calculated Property
Pc	3916.03	kPa	Joback Calculated Property
ρc	[270.61; 270.61]	kg/m3
ρc	270.61	kg/m3	NIST
ρc	270.61 ± 20.27	kg/m3	NIST
Inp	[661.00; 712.00]
Inp	669.20		NIST
Inp	676.50		NIST
Inp	671.00		NIST
Inp	682.00		NIST
Inp	689.00		NIST
Inp	685.00		NIST
Inp	685.00		NIST
Inp	665.00		NIST
Inp	685.00		NIST
Inp	Outlier 661.00		NIST
Inp	687.00		NIST
Inp	688.00		NIST
Inp	703.00		NIST
Inp	Outlier 710.00		NIST
Inp	Outlier 712.00		NIST
Inp	689.00		NIST
Inp	687.00		NIST
Inp	693.00		NIST
Inp	689.00		NIST
Inp	683.00		NIST
Inp	689.00		NIST
Inp	689.00		NIST
Inp	690.00		NIST
Inp	684.00		NIST
Inp	687.00		NIST
Inp	669.00		NIST
Inp	678.00		NIST
Inp	680.00		NIST
Inp	687.00		NIST
Inp	683.00		NIST
Inp	669.20		NIST
Inp	685.00		NIST
Inp	Outlier 712.00		NIST
I	[1087.00; 1128.00]
I	1097.00		NIST
I	1102.00		NIST
I	1111.00		NIST
I	Outlier 1124.00		NIST
I	1108.00		NIST
I	1108.00		NIST
I	1110.00		NIST
I	1096.00		NIST
I	1100.00		NIST
I	Outlier 1087.00		NIST
I	1112.00		NIST
I	1113.00		NIST
I	1110.00		NIST
I	1098.00		NIST
I	1103.00		NIST
I	1111.00		NIST
I	1116.00		NIST
I	Outlier 1093.00		NIST
I	1101.00		NIST
I	1110.00		NIST
I	Outlier 1128.00		NIST
I	1109.00		NIST
I	1120.00		NIST
I	1111.00		NIST
I	1106.00		NIST
I	1108.00		NIST
I	1109.00		NIST
I	1104.00		NIST
I	1112.00		NIST
I	1112.00		NIST
I	1108.00		NIST
I	1116.00		NIST
I	1118.00		NIST
I	1110.00		NIST
I	1116.00		NIST
I	1112.00		NIST
I	1119.00		NIST
I	1110.00		NIST
I	1108.00		NIST
I	1112.00		NIST
I	1113.00		NIST
I	1113.00		NIST
I	1109.00		NIST
I	1111.00		NIST
I	1104.00		NIST
I	1107.00		NIST
I	1110.00		NIST
I	1104.00		NIST
I	1103.00		NIST
I	1110.00		NIST
I	1106.00		NIST
I	1112.00		NIST
I	1108.00		NIST
I	1113.00		NIST
I	1107.00		NIST
S°gas	382.21	J/mol×K	NIST
Tboil	[361.90; 391.10]	K
Tboil	389.40	K	KDB
Tboil	389.30	K	NIST
Tboil	Outlier 361.90 ± 1.50	K	NIST
Tboil	388.75 ± 2.00	K	NIST
Tboil	386.65 ± 2.00	K	NIST
Tboil	388.15 ± 3.00	K	NIST
Tboil	385.15 ± 3.00	K	NIST
Tboil	387.65 ± 1.50	K	NIST
Tboil	388.65 ± 0.30	K	NIST
Tboil	389.35 ± 0.50	K	NIST
Tboil	389.40 ± 1.00	K	NIST
Tboil	388.85 ± 0.50	K	NIST
Tboil	387.15 ± 2.00	K	NIST
Tboil	387.65 ± 2.00	K	NIST
Tboil	388.45 ± 1.00	K	NIST
Tboil	389.15 ± 1.00	K	NIST
Tboil	385.65 ± 3.00	K	NIST
Tboil	389.15 ± 0.70	K	NIST
Tboil	387.95 ± 2.00	K	NIST
Tboil	391.10 ± 2.00	K	NIST
Tboil	388.15 ± 2.00	K	NIST
Tboil	387.15 ± 2.00	K	NIST
Tboil	388.80 ± 0.50	K	NIST
Tboil	388.80 ± 0.20	K	NIST
Tboil	386.15 ± 3.00	K	NIST
Tboil	387.90 ± 2.00	K	NIST
Tboil	390.15 ± 2.00	K	NIST
Tboil	388.65 ± 1.00	K	NIST
Tboil	389.25 ± 0.30	K	NIST
Tboil	390.15 ± 2.00	K	NIST
Tboil	389.15 ± 2.00	K	NIST
Tboil	389.05 ± 0.50	K	NIST
Tboil	388.15 ± 0.50	K	NIST
Tboil	388.50 ± 0.30	K	NIST
Tboil	387.65 ± 2.00	K	NIST
Tboil	388.50 ± 0.50	K	NIST
Tboil	389.15 ± 2.00	K	NIST
Tboil	386.70 ± 2.00	K	NIST
Tc	[559.60; 559.60]	K
Tc	559.60	K	KDB
Tc	559.60 ± 0.50	K	NIST
Tc	559.60	K	NIST
Tc	559.60 ± 0.25	K	NIST
Tfus	[202.10; 204.00]	K
Tfus	204.00	K	KDB
Tfus	202.10	K	Aq. Sol...
Vc	[0.325; 0.325]	m3/kmol
Vc	0.325	m3/kmol	KDB
Vc	0.325	m3/kmol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[169.82; 216.94]	J/mol×K	[405.54; 570.76]
T(K) Ideal gas heat capacity (J/mol×K) 170 180 190 200 210 220 450 500 550
Cp,gas	169.82	J/mol×K	405.54	Joback Calculated Property
Cp,gas	178.43	J/mol×K	433.08	Joback Calculated Property
Cp,gas	186.73	J/mol×K	460.61	Joback Calculated Property
Cp,gas	194.72	J/mol×K	488.15	Joback Calculated Property
Cp,gas	202.42	J/mol×K	515.68	Joback Calculated Property
Cp,gas	209.82	J/mol×K	543.22	Joback Calculated Property
Cp,gas	216.94	J/mol×K	570.76	Joback Calculated Property
Cp,liquid	239.70	J/mol×K	298.00	NIST
η	[0.0002833; 0.3005917]	Pa×s	[191.93; 405.54]
T(K) Dynamic viscosity (Pa×s) 0 0.05 0.1 0.15 0.2 0.25 0.3 200 300 400
η	0.3005917	Pa×s	191.93	Joback Calculated Property
η	0.0379452	Pa×s	227.53	Joback Calculated Property
η	0.0083860	Pa×s	263.13	Joback Calculated Property
η	0.0026559	Pa×s	298.74	Joback Calculated Property
η	0.0010745	Pa×s	334.34	Joback Calculated Property
η	0.0005174	Pa×s	369.94	Joback Calculated Property
η	0.0002833	Pa×s	405.54	Joback Calculated Property
ΔfusH	[9.08; 9.08]	kJ/mol	[204.20; 204.20]
ΔfusH	9.08	kJ/mol	204.20	NIST
ΔfusH	9.08	kJ/mol	204.20	NIST
ΔvapH	[49.60; 59.90]	kJ/mol	[298.50; 353.00]
ΔvapH	53.60	kJ/mol	298.50	NIST
ΔvapH	59.90	kJ/mol	317.50	NIST
ΔvapH	50.20	kJ/mol	341.50	NIST
ΔvapH	49.60	kJ/mol	353.00	NIST
Pvap	[0.23; 97.99]	kPa	[279.05; 387.65]
T(K) Vapor pressure (kPa) 0 20 40 60 80 100 300 350
Pvap	0.23	kPa	279.05	Vapor P...
Pvap	0.32	kPa	282.62	Vapor P...
Pvap	0.47	kPa	287.46	Vapor P...
Pvap	0.74	kPa	293.45	Vapor P...
Pvap	0.77	kPa	293.92	Vapor P...
Pvap	1.04	kPa	298.17	Vapor P...
Pvap	1.40	kPa	302.31	Vapor P...
Pvap	2.05	kPa	307.87	Vapor P...
Pvap	2.83	kPa	312.86	Vapor P...
Pvap	4.01	kPa	318.42	Vapor P...
Pvap	14.66	kPa	342.02	Vapor p...
Pvap	17.33	kPa	345.41	Vapor p...
Pvap	20.00	kPa	348.40	Vapor p...
Pvap	22.66	kPa	351.07	Vapor p...
Pvap	26.00	kPa	354.07	Vapor p...
Pvap	29.33	kPa	356.77	Vapor p...
Pvap	32.66	kPa	359.24	Vapor p...
Pvap	34.66	kPa	360.62	Vapor p...
Pvap	38.00	kPa	362.79	Vapor p...
Pvap	41.33	kPa	364.81	Vapor p...
Pvap	45.33	kPa	367.06	Vapor p...
Pvap	49.33	kPa	369.16	Vapor p...
Pvap	53.33	kPa	371.13	Vapor p...
Pvap	57.33	kPa	372.99	Vapor p...
Pvap	61.33	kPa	374.75	Vapor p...
Pvap	66.66	kPa	376.95	Vapor p...
Pvap	71.99	kPa	379.02	Vapor p...
Pvap	77.33	kPa	380.97	Vapor p...
Pvap	82.66	kPa	382.82	Vapor p...
Pvap	89.33	kPa	385.00	Vapor p...
Pvap	95.99	kPa	387.06	Vapor p...
Pvap	97.99	kPa	387.65	Vapor p...
n0	[1.39810; 1.40870]		[298.15; 318.15]
n0	1.40870		298.15	Phase E...
n0	1.40470		298.15	Densiti...
n0	1.40290		308.15	Densiti...
n0	1.39810		318.15	Densiti...
ρl	[806.90; 835.70]	kg/m3	[273.65; 308.15]
T(K) Liquid Density (kg/m3) 805 810 815 820 825 830 835 280 290 300
ρl	835.70	kg/m3	273.65	Tempera...
ρl	835.30	kg/m3	274.15	Tempera...
ρl	834.90	kg/m3	274.65	Tempera...
ρl	834.50	kg/m3	275.15	Tempera...
ρl	834.10	kg/m3	275.65	Tempera...
ρl	833.70	kg/m3	276.15	Tempera...
ρl	833.30	kg/m3	276.65	Tempera...
ρl	832.90	kg/m3	277.15	Tempera...
ρl	832.50	kg/m3	277.65	Tempera...
ρl	832.10	kg/m3	278.15	Tempera...
ρl	831.70	kg/m3	278.65	Tempera...
ρl	831.30	kg/m3	279.15	Tempera...
ρl	830.90	kg/m3	279.65	Tempera...
ρl	830.50	kg/m3	280.15	Tempera...
ρl	830.10	kg/m3	280.65	Tempera...
ρl	829.70	kg/m3	281.15	Tempera...
ρl	829.30	kg/m3	281.65	Tempera...
ρl	828.90	kg/m3	282.15	Tempera...
ρl	815.62	kg/m3	298.15	Excess ...
ρl	815.80	kg/m3	298.15	Asymmet...
ρl	806.90	kg/m3	308.15	Excess ...

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	387.70	K	99.90	NIST

Datasets

Speed of sound, m/s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Speed of sound, m/s - Liquid
303.15	100.00	1234.7
303.15	10000.00	1294.0
303.15	20000.00	1348.2
303.15	30000.00	1397.7
303.15	40000.00	1443.6
303.15	50000.00	1486.9
303.15	60000.00	1526.0
303.15	70000.00	1564.7
303.15	80000.00	1600.5
303.15	90000.00	1636.4
303.15	100000.00	1668.2
313.15	100.00	1194.7
313.15	10000.00	1257.0
313.15	20000.00	1313.0
313.15	30000.00	1364.7
313.15	40000.00	1411.9
313.15	50000.00	1456.0
313.15	60000.00	1498.1
313.15	70000.00	1537.4
313.15	80000.00	1574.5
313.15	90000.00	1610.2
313.15	100000.00	1644.1
323.15	100.00	1155.2
323.15	10000.00	1219.2
323.15	20000.00	1277.9
323.15	30000.00	1331.0
323.15	40000.00	1380.2
323.15	50000.00	1425.8
323.15	60000.00	1468.5
323.15	70000.00	1508.9
323.15	80000.00	1547.2
323.15	90000.00	1583.6
323.15	100000.00	1618.6
333.15	100.00	1115.9
333.15	10000.00	1182.2
333.15	20000.00	1243.1
333.15	30000.00	1298.2
333.15	40000.00	1348.6
333.15	50000.00	1395.9
333.15	60000.00	1439.4
333.15	70000.00	1480.7
333.15	80000.00	1519.8
333.15	90000.00	1556.9
333.15	100000.00	1592.2
343.15	100.00	1076.8
343.15	10000.00	1146.9
343.15	20000.00	1209.7
343.15	30000.00	1266.6
343.15	40000.00	1318.2
343.15	50000.00	1366.4
343.15	60000.00	1411.1
343.15	70000.00	1453.1
343.15	80000.00	1492.9
343.15	90000.00	1530.7
343.15	100000.00	1566.6
353.15	100.00	1036.7
353.15	10000.00	1110.4
353.15	20000.00	1176.2
353.15	30000.00	1234.1
353.15	40000.00	1287.8
353.15	50000.00	1337.3
353.15	60000.00	1383.1
353.15	70000.00	1425.8
353.15	80000.00	1466.6
353.15	90000.00	1505.0
353.15	100000.00	1541.4
363.15	100.00	997.3
363.15	10000.00	1075.3
363.15	20000.00	1143.2
363.15	30000.00	1203.5
363.15	40000.00	1258.2
363.15	50000.00	1308.3
363.15	60000.00	1355.1
363.15	70000.00	1399.6
363.15	80000.00	1440.8
363.15	90000.00	1479.7
363.15	100000.00	1516.9
373.15	100.00	957.2
373.15	10000.00	1038.9
373.15	20000.00	1109.6
373.15	30000.00	1171.5
373.15	40000.00	1228.3
373.15	50000.00	1280.1
373.15	60000.00	1328.2
373.15	70000.00	1373.1
373.15	80000.00	1415.0
373.15	90000.00	1454.6
373.15	100000.00	1492.5
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[299.83; 409.85]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44746e+01
Coefficient B			-2.84676e+03
Coefficient C			-9.91730e+01
Temperature range, min.			299.83
Temperature range, max.			409.85
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400
Pvap	1.33	kPa	299.83	Calculated Property
Pvap	3.01	kPa	312.05	Calculated Property
Pvap	6.22	kPa	324.28	Calculated Property
Pvap	11.94	kPa	336.50	Calculated Property
Pvap	21.48	kPa	348.73	Calculated Property
Pvap	36.60	kPa	360.95	Calculated Property
Pvap	59.45	kPa	373.18	Calculated Property
Pvap	92.65	kPa	385.40	Calculated Property
Pvap	139.24	kPa	397.63	Calculated Property
Pvap	202.66	kPa	409.85	Calculated Property
Pvap	[4.93e-05; 3720.52]	kPa	[204.15; 547.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.10919e+01
Coefficient B			-9.04205e+03
Coefficient C			-1.06916e+01
Coefficient D			3.55838e-06
Temperature range, min.			204.15
Temperature range, max.			547.00
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 4000 200 300 400 500
Pvap	4.93e-05	kPa	204.15	Calculated Property
Pvap	8.90e-03	kPa	242.24	Calculated Property
Pvap	0.32	kPa	280.34	Calculated Property
Pvap	4.21	kPa	318.43	Calculated Property
Pvap	28.63	kPa	356.53	Calculated Property
Pvap	123.86	kPa	394.62	Calculated Property
Pvap	388.85	kPa	432.72	Calculated Property
Pvap	967.13	kPa	470.81	Calculated Property
Pvap	2024.12	kPa	508.91	Calculated Property
Pvap	3720.52	kPa	547.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-Pentanol.

Mixtures

• n-Butyl ether + 3-Pentanol
• 3-Pentanol + Water
• Methane, nitro- + 3-Pentanol
• 3-Pentanone + 3-Pentanol
• 2-Pentanone + 3-Pentanol
• 2-Pentanone + 3-Pentanone + 3-Pentanol
• 2-Butanone + 3-Pentanol
• Propane + 3-Pentanol
• Propene + 3-Pentanol
• Butane + 3-Pentanol
• 3-Pentanol + Isobutane
• 1-Butene + 3-Pentanol
• 1-Propene, 2-methyl- + 3-Pentanol
• 2-Butene, (E)- + 3-Pentanol
• 1,3-Butadiene + 3-Pentanol
• 2-Butene, (Z)- + 3-Pentanol
• Dimethyl ether + 3-Pentanol
• Ethyl Chloride + 3-Pentanol
• Ethane, 1,1-difluoro- + 3-Pentanol
• Carbon dioxide + 3-Pentanol

Find more mixtures with 3-Pentanol.

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Crippen Method
• Vapor pressure of selected aliphatic alcohols by ebulliometry. Part 2
• The influence of cation, anion and temperature on the liquid-liquid equilibrium of some pentanols-water system
• Henry's constants and infinite dilution activity coefficients of propane, propene, butane, isobutane, 1-butene, isobutene, trans-2-butene, and 1,3-butadiene in 1-pentanol, 2-pentanol and 3-pentanol
• Henry's law constants and infinite dilution activity coefficients of cis-2-butene, dimethylether, chloroethane, and 1,1-difluoroethane in methanol, 1-propanol, 2-propanol, 1-butanol, 2-butanol, isobutanol, tert-butanol, 1-pentanol, 2-pentanol, 3-pentanol, 2-methyl-1-butanol, 3-methyl-1-butanol, and 2-methyl-2-butanol
• Study of the volumetric properties of weakly associated alcohols by means of high-pressure speed of sound measurements
• Measurement and modeling of high-pressure (vapor + liquid) equilibria of (CO2 + alkanol) binary systems
• Excess molar enthalpies of the binary systems: (Dibutyl ether + isomers of pentanol) at T = (298.15 and 308.15) K
• Temperature of maximum density for aqueous mixtures of three pentanol isomers
• Asymmetric liquid-liquid criticality in the ideal volumetric mixing approximation
• Vapor Pressure and Its Temperature Dependence of 28 Organic Compounds: Cyclic Amines, Cyclic Ethers, and Cyclic and Open Chain Secondary Alcohols
• Phase Equilibria in the Binary and Ternary Systems Composed of Diethyl ketone, 2-Pentanone and 3-Pentanol at 101.3 kPa
• Heat Capacities in the Solid and in the Liquid Phase of Isomeric Pentanols
• Measurement of Infinite Dilution Activity Coefficients of Alcohols, Ketones, and Aromatic Hydrocarbons in 4-Methyl-N-butylpyridinium Tetrafluoroborate and 1-Butyl-3-methylimidazolium Hexafluorophosphate by Gas-Liquid Chromatography
• Temperature Dependence of Limiting Activity Coefficients, Henry s Law Constants, and Related Infinite Dilution Properties of Branched Pentanols in Water. Measurement, Critical Compilation, Correlation, and Recommended Data
• Densities, Viscosities, and Refractive Indices of Binary Mixtures of Methyl Ethyl Ketone + Pentanol Isomers at Different Temperatures
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.