Chemical Properties of 3-Pentanol, 3-methyl- (CAS 77-74-7)

InChI

InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3

InChI Key

FRDAATYAJDYRNW-UHFFFAOYSA-N

Formula

C6H14O

SMILES

CCC(C)(O)CC

Molecular Weight¹

102.17

CAS

77-74-7

Other Names

• 2-ethyl-2-butanol
• 3-Methyl-3-pentanol
• 3-Methyl-pentanol-(3)
• 3-Methylpentan-3-ol
• 3-hydroxy-3-methylpentane
• 3-methyl-3-pentyl alcohol
• Methyl-3 pentanol-3
• Methyldiaethylcarbinol
• Methyldiethylcarbinol

• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• c_sound,fluid : Speed of sound in fluid (m/s).
• T_boil : Normal Boiling Point Temperature (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
ΔfG°	-134.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-348.30 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-404.90 ± 0.88	kJ/mol	NIST
ΔfusH°	7.97	kJ/mol	Joback Calculated Property
ΔvapH°	[55.70; 56.70]	kJ/mol
ΔvapH°	55.70 ± 0.30	kJ/mol	NIST
ΔvapH°	56.65 ± 0.84	kJ/mol	NIST
ΔvapH°	56.60	kJ/mol	NIST
ΔvapH°	56.70 ± 0.80	kJ/mol	NIST
log10WS	[-0.38; -0.36]
log10WS	-0.38		Aq. Sol...
log10WS	-0.36		Estimat...
logPoct/wat	1.557		Crippen Calculated Property
McVol	101.270	ml/mol	McGowan Calculated Property
Pc	[3520.00; 3520.00]	kPa
Pc	3520.00 ± 20.00	kPa	NIST
Pc	3520.00 ± 50.00	kPa	NIST
Inp	[733.40; 757.00]
Inp	733.40		NIST
Inp	733.90		NIST
Inp	737.00		NIST
Inp	749.00		NIST
Inp	755.90		NIST
Inp	757.00		NIST
Inp	757.00		NIST
Inp	757.00		NIST
I	[1080.00; 1119.00]
I	1115.00		NIST
I	1112.00		NIST
I	1108.00		NIST
I	1119.00		NIST
I	1080.00		NIST
I	1080.00		NIST
I	1080.00		NIST
Tboil	[374.65; 406.65]	K
Tboil	395.60	K	NIST
Tboil	Outlier 374.65 ± 5.00	K	NIST
Tboil	393.40 ± 2.00	K	NIST
Tboil	394.15 ± 2.00	K	NIST
Tboil	396.20 ± 1.00	K	NIST
Tboil	395.15 ± 2.00	K	NIST
Tboil	394.40 ± 2.00	K	NIST
Tboil	394.65 ± 2.00	K	NIST
Tboil	394.05 ± 1.00	K	NIST
Tboil	395.65 ± 2.00	K	NIST
Tboil	395.55 ± 0.50	K	NIST
Tboil	394.15 ± 2.00	K	NIST
Tboil	395.15 ± 4.00	K	NIST
Tboil	394.55 ± 2.00	K	NIST
Tboil	395.85 ± 0.50	K	NIST
Tboil	394.15 ± 2.00	K	NIST
Tboil	Outlier 406.65 ± 5.00	K	NIST
Tboil	396.15 ± 2.00	K	NIST
Tboil	396.05 ± 0.70	K	NIST
Tboil	395.15 ± 2.00	K	NIST
Tboil	396.15 ± 2.00	K	NIST
Tboil	394.00 ± 2.00	K	NIST
Tboil	395.65 ± 2.00	K	NIST
Tboil	395.40 ± 3.00	K	NIST
Tc	[575.60; 575.60]	K
Tc	575.60 ± 0.60	K	NIST
Tc	575.60 ± 0.80	K	NIST
Tfus	[249.35; 249.55]	K
Tfus	249.35	K	Aq. Sol...
Tfus	249.55 ± 0.20	K	NIST
Vc	0.380	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[210.01; 266.42]	J/mol×K	[425.63; 596.64]
Cp,gas	210.01	J/mol×K	425.63	Joback Calculated Property
Cp,gas	220.61	J/mol×K	454.13	Joback Calculated Property
Cp,gas	230.71	J/mol×K	482.63	Joback Calculated Property
Cp,gas	240.32	J/mol×K	511.13	Joback Calculated Property
Cp,gas	249.46	J/mol×K	539.64	Joback Calculated Property
Cp,gas	258.15	J/mol×K	568.14	Joback Calculated Property
Cp,gas	266.42	J/mol×K	596.64	Joback Calculated Property
Cp,liquid	[293.38; 302.25]	J/mol×K	[298.15; 298.15]
Cp,liquid	302.25	J/mol×K	298.15	NIST
Cp,liquid	293.83	J/mol×K	298.15	NIST
Cp,liquid	293.38	J/mol×K	298.15	NIST
η	[0.0002697; 0.1316325]	Pa×s	[220.62; 425.63]
η	0.1316325	Pa×s	220.62	Joback Calculated Property
η	0.0234865	Pa×s	254.79	Joback Calculated Property
η	0.0062994	Pa×s	288.96	Joback Calculated Property
η	0.0022318	Pa×s	323.12	Joback Calculated Property
η	0.0009643	Pa×s	357.29	Joback Calculated Property
η	0.0004823	Pa×s	391.46	Joback Calculated Property
η	0.0002697	Pa×s	425.63	Joback Calculated Property
ΔvapH	[40.10; 46.40]	kJ/mol	[345.50; 367.00]
ΔvapH	42.10	kJ/mol	345.50	NIST
ΔvapH	40.10	kJ/mol	359.50	NIST
ΔvapH	46.40	kJ/mol	367.00	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	1230.7
303.15	10000.00	1290.1
303.15	20000.00	1344.9
303.15	30000.00	1396.1
303.15	40000.00	1443.3
303.15	50000.00	1487.1
303.15	60000.00	1529.7
303.15	70000.00	1568.8
303.15	80000.00	1606.2
303.15	90000.00	1641.7
303.15	100000.00	1675.9
313.15	100.00	1192.7
313.15	10000.00	1254.9
313.15	20000.00	1311.8
313.15	30000.00	1365.0
313.15	40000.00	1412.6
313.15	50000.00	1457.9
313.15	60000.00	1500.4
313.15	70000.00	1540.7
313.15	80000.00	1578.9
313.15	90000.00	1615.0
313.15	100000.00	1650.0
323.15	100.00	1154.4
323.15	10000.00	1219.2
323.15	20000.00	1278.7
323.15	30000.00	1332.4
323.15	40000.00	1382.1
323.15	50000.00	1428.9
323.15	60000.00	1472.8
323.15	70000.00	1513.6
323.15	80000.00	1552.8
323.15	90000.00	1589.9
323.15	100000.00	1624.9
333.15	100.00	1115.7
333.15	10000.00	1183.6
333.15	20000.00	1245.0
333.15	30000.00	1300.4
333.15	40000.00	1351.9
333.15	50000.00	1399.7
333.15	60000.00	1444.4
333.15	70000.00	1486.1
333.15	80000.00	1525.6
333.15	90000.00	1563.8
333.15	100000.00	1599.9
343.15	100.00	1077.3
343.15	10000.00	1148.0
343.15	20000.00	1211.1
343.15	30000.00	1268.5
343.15	40000.00	1321.7
343.15	50000.00	1370.5
343.15	60000.00	1416.0
343.15	70000.00	1458.4
343.15	80000.00	1499.4
343.15	90000.00	1537.9
343.15	100000.00	1574.6
353.15	100.00	1037.7
353.15	10000.00	1111.6
353.15	20000.00	1177.7
353.15	30000.00	1236.9
353.15	40000.00	1291.4
353.15	50000.00	1342.1
353.15	60000.00	1387.8
353.15	70000.00	1431.2
353.15	80000.00	1472.7
353.15	90000.00	1511.9
353.15	100000.00	1549.3
363.15	100.00	998.2
363.15	10000.00	1076.2
363.15	20000.00	1144.6
363.15	30000.00	1205.4
363.15	40000.00	1261.4
363.15	50000.00	1312.6
363.15	60000.00	1359.8
363.15	70000.00	1404.8
363.15	80000.00	1446.9
363.15	90000.00	1486.5
363.15	100000.00	1524.4
373.15	100.00	957.7
373.15	10000.00	1039.5
373.15	20000.00	1110.9
373.15	30000.00	1174.0
373.15	40000.00	1231.1
373.15	50000.00	1283.7
373.15	60000.00	1332.0
373.15	70000.00	1377.5
373.15	80000.00	1420.3
373.15	90000.00	1461.1
373.15	100000.00	1499.3
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[302.06; 418.76]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37248e+01
Coefficient B			-2.62615e+03
Coefficient C			-1.06616e+02
Temperature range, min.			302.06
Temperature range, max.			418.76
Pvap	1.33	kPa	302.06	Calculated Property
Pvap	3.08	kPa	315.03	Calculated Property
Pvap	6.44	kPa	327.99	Calculated Property
Pvap	12.41	kPa	340.96	Calculated Property
Pvap	22.33	kPa	353.93	Calculated Property
Pvap	37.90	kPa	366.89	Calculated Property
Pvap	61.18	kPa	379.86	Calculated Property
Pvap	94.56	kPa	392.83	Calculated Property
Pvap	140.73	kPa	405.79	Calculated Property
Pvap	202.66	kPa	418.76	Calculated Property

Similar Compounds

Find more compounds similar to 3-Pentanol, 3-methyl-.

Sources

• Crippen Method
• Study of the volumetric properties of weakly associated alcohols by means of high-pressure speed of sound measurements
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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