Chemical Properties of Butane, 2-methyl- (CAS 78-78-4)

InChI

InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3

InChI Key

QWTDNUCVQCZILF-UHFFFAOYSA-N

Formula

C5H12

SMILES

CCC(C)C

Molecular Weight¹

72.15

CAS

78-78-4

Other Names

• 1,1,2-Trimethylethane
• 1,1-Dimethylpropane
• 2-Methylbutane
• Ethyldimethylmethane
• Exxsol isopentane S
• Isoamylhydride
• Isopentane
• Methylbutane
• NSC 119476
• iso-C5H12
• iso-Pentane

• Δ_cH°_gas : Standard gas enthalpy of combustion (kJ/mol).
• 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• Δ_vapS : Entropy of vaporization at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ : Gas thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Contents

1. Physical Properties
2. Temperature Dependent Properties
3. Datasets
4. Correlations
5. Similar Compounds
6. Mixtures
7. Sources

Physical Properties

Property	Value	Unit	Source
ΔcH°gas	[-3528.60; -3527.60]	kJ/mol
ΔcH°gas	-3528.40 ± 0.92	kJ/mol	NIST
ΔcH°gas	-3528.60 ± 0.63	kJ/mol	NIST
ΔcH°gas	-3527.60 ± 3.50	kJ/mol	NIST
ΔcH°liquid	[-3504.40; -3503.30]	kJ/mol
ΔcH°liquid	-3504.40 ± 0.84	kJ/mol	NIST
ΔcH°liquid	-3503.30 ± 0.75	kJ/mol	NIST
ΔfG°	-11.22	kJ/mol	Joback Calculated Property
ΔfH°gas	[-154.50; -153.70]	kJ/mol
ΔfH°gas	-153.70 ± 0.59	kJ/mol	NIST
ΔfH°gas	-154.10 ± 0.96	kJ/mol	NIST
ΔfH°gas	-154.50 ± 0.84	kJ/mol	NIST
ΔfH°liquid	[-179.30; -178.20]	kJ/mol
ΔfH°liquid	-178.20 ± 0.88	kJ/mol	NIST
ΔfH°liquid	-179.30 ± 0.84	kJ/mol	NIST
ΔfusH°	5.18	kJ/mol	Joback Calculated Property
ΔvapH°	[24.80; 25.22]	kJ/mol
ΔvapH°	25.22	kJ/mol	NIST
ΔvapH°	24.80	kJ/mol	NIST
ΔvapH°	24.80 ± 0.10	kJ/mol	NIST
ΔvapH°	25.00	kJ/mol	NIST
IE	[10.18; 11.00]	eV
IE	10.32 ± 0.05	eV	NIST
IE	10.21	eV	NIST
IE	10.18	eV	NIST
IE	10.22	eV	NIST
IE	10.30 ± 0.10	eV	NIST
IE	10.50 ± 0.05	eV	NIST
IE	10.32	eV	NIST
IE	10.32	eV	NIST
IE	10.94	eV	NIST
IE	Outlier 11.00 ± 0.10	eV	NIST
log10WS	[-3.18; -3.18]
log10WS	-3.18		Aq. Sol...
log10WS	-3.18		Estimat...
logPoct/wat	2.052		Crippen Calculated Property
McVol	81.310	ml/mol	McGowan Calculated Property
Pc	[3270.00; 3410.60]	kPa
Pc	3380.00 ± 50.00	kPa	NIST
Pc	3381.00 ± 50.66	kPa	NIST
Pc	3410.60 ± 10.13	kPa	NIST
Pc	3335.50 ± 66.70	kPa	NIST
Pc	3270.00 ± 98.07	kPa	NIST
ρc	[234.27; 235.93]	kg/m3
ρc	235.93 ± 3.61	kg/m3	NIST
ρc	234.27 ± 4.33	kg/m3	NIST
ρc	235.93 ± 2.16	kg/m3	NIST
ρc	235.93 ± 7.21	kg/m3	NIST
ρc	234.27 ± 4.33	kg/m3	NIST
Inp	[461.00; 480.00]
Inp	475.00		NIST
Inp	474.20		NIST
Inp	469.00		NIST
Inp	470.00		NIST
Inp	470.00		NIST
Inp	475.80		NIST
Inp	475.40		NIST
Inp	474.90		NIST
Inp	468.00		NIST
Inp	474.90		NIST
Inp	474.50		NIST
Inp	475.40		NIST
Inp	475.00		NIST
Inp	475.00		NIST
Inp	475.60		NIST
Inp	475.00		NIST
Inp	476.00		NIST
Inp	474.37		NIST
Inp	470.00		NIST
Inp	470.00		NIST
Inp	471.00		NIST
Inp	471.00		NIST
Inp	472.00		NIST
Inp	477.00		NIST
Inp	476.00		NIST
Inp	474.00		NIST
Inp	475.00		NIST
Inp	476.00		NIST
Inp	476.00		NIST
Inp	474.00		NIST
Inp	474.00		NIST
Inp	474.00		NIST
Inp	474.00		NIST
Inp	474.00		NIST
Inp	478.00		NIST
Inp	477.00		NIST
Inp	474.00		NIST
Inp	474.00		NIST
Inp	475.00		NIST
Inp	473.00		NIST
Inp	475.00		NIST
Inp	474.00		NIST
Inp	476.00		NIST
Inp	476.00		NIST
Inp	465.00		NIST
Inp	Outlier 461.00		NIST
Inp	477.50		NIST
Inp	477.00		NIST
Inp	464.90		NIST
Inp	466.10		NIST
Inp	465.35		NIST
Inp	465.39		NIST
Inp	467.00		NIST
Inp	465.11		NIST
Inp	465.18		NIST
Inp	465.00		NIST
Inp	466.00		NIST
Inp	474.00		NIST
Inp	475.00		NIST
Inp	474.00		NIST
Inp	475.00		NIST
Inp	475.00		NIST
Inp	475.00		NIST
Inp	476.00		NIST
Inp	480.00		NIST
Inp	474.00		NIST
Inp	465.00		NIST
Inp	466.20		NIST
Inp	Outlier 464.00		NIST
Inp	Outlier 464.00		NIST
Inp	475.00		NIST
Inp	476.00		NIST
Inp	475.00		NIST
Inp	475.00		NIST
Inp	475.00		NIST
Inp	475.00		NIST
Inp	477.00		NIST
Inp	466.00		NIST
Inp	472.00		NIST
Inp	474.00		NIST
Inp	467.00		NIST
Inp	476.00		NIST
Inp	476.00		NIST
Inp	476.00		NIST
Inp	476.00		NIST
Inp	477.50		NIST
I	[467.00; 471.00]
I	467.00		NIST
I	471.00		NIST
S°liquid	[254.40; 261.04]	J/mol×K
S°liquid	260.41	J/mol×K	NIST
S°liquid	261.04	J/mol×K	NIST
S°liquid	254.40	J/mol×K	NIST
Tboil	[301.15; 301.15]	K
Tboil	301.15	K	Isobari...
Tboil	301.15	K	Isobari...
Tc	479.98	K	Joback Calculated Property
Tfus	113.23	K	Aq. Sol...
Ttriple	[112.60; 113.39]	K
Ttriple	113.37 ± 0.02	K	NIST
Ttriple	113.39 ± 0.05	K	NIST
Ttriple	112.60 ± 0.30	K	NIST
Vc	0.306	m3/kmol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[125.31; 179.62]	J/mol×K	[317.20; 487.05]
Cp,gas	125.31 ± 0.37	J/mol×K	317.20	NIST
Cp,gas	139.12 ± 0.42	J/mol×K	358.15	NIST
Cp,gas	153.64 ± 0.46	J/mol×K	402.30	NIST
Cp,gas	168.36 ± 0.51	J/mol×K	449.20	NIST
Cp,gas	179.62 ± 0.54	J/mol×K	487.05	NIST
Cp,liquid	[157.30; 169.41]	J/mol×K	[275.80; 298.30]
Cp,liquid	157.30	J/mol×K	275.80	NIST
Cp,liquid	169.41	J/mol×K	290.00	NIST
Cp,liquid	164.85	J/mol×K	298.15	NIST
Cp,liquid	164.50	J/mol×K	298.30	NIST
η	[0.0001287; 0.0003893]	Pa×s	[253.15; 353.15]
η	0.0003893	Pa×s	253.15	Saturat...
η	0.0003661	Pa×s	258.15	Saturat...
η	0.0003439	Pa×s	263.15	Saturat...
η	0.0003201	Pa×s	268.15	Saturat...
η	0.0003023	Pa×s	273.15	Saturat...
η	0.0002859	Pa×s	278.15	Saturat...
η	0.0002703	Pa×s	283.15	Saturat...
η	0.0002547	Pa×s	288.15	Saturat...
η	0.0002399	Pa×s	293.15	Saturat...
η	0.0002289	Pa×s	298.15	Saturat...
η	0.0002144	Pa×s	303.15	Saturat...
η	0.0002023	Pa×s	308.15	Saturat...
η	0.0001910	Pa×s	313.15	Saturat...
η	0.0001813	Pa×s	318.15	Saturat...
η	0.0001724	Pa×s	323.15	Saturat...
η	0.0001611	Pa×s	328.15	Saturat...
η	0.0001543	Pa×s	333.15	Saturat...
η	0.0001480	Pa×s	338.15	Saturat...
η	0.0001411	Pa×s	343.15	Saturat...
η	0.0001332	Pa×s	348.15	Saturat...
η	0.0001287	Pa×s	353.15	Saturat...
ΔfusH	[5.11; 5.16]	kJ/mol	[112.60; 113.40]
ΔfusH	5.11	kJ/mol	112.60	NIST
ΔfusH	5.16	kJ/mol	113.37	NIST
ΔfusH	5.13	kJ/mol	113.39	NIST
ΔfusH	5.13	kJ/mol	113.40	NIST
ΔfusH	5.13	kJ/mol	113.40	NIST
ΔvapH	[12.90; 30.20]	kJ/mol	[245.00; 436.00]
ΔvapH	30.20	kJ/mol	245.00	NIST
ΔvapH	28.50	kJ/mol	269.50	NIST
ΔvapH	26.90	kJ/mol	289.00	NIST
ΔvapH	24.83	kJ/mol	293.95	NIST
ΔvapH	26.20	kJ/mol	295.00	NIST
ΔvapH	24.69	kJ/mol	301.00	NIST
ΔvapH	24.40	kJ/mol	310.00	NIST
ΔvapH	21.50	kJ/mol	350.00	NIST
ΔvapH	25.20	kJ/mol	355.50	NIST
ΔvapH	25.20	kJ/mol	380.00	NIST
ΔvapH	18.00	kJ/mol	390.00	NIST
ΔvapH	24.80	kJ/mol	400.50	NIST
ΔvapH	12.90	kJ/mol	430.00	NIST
ΔvapH	25.30	kJ/mol	436.00	NIST
n0	1.35350		293.15	Isobari...
ΔfusS	[45.23; 45.48]	J/mol×K	[112.60; 113.40]
ΔfusS	45.41	J/mol×K	112.60	NIST
ΔfusS	45.48	J/mol×K	113.37	NIST
ΔfusS	45.24	J/mol×K	113.39	NIST
ΔfusS	45.23	J/mol×K	113.40	NIST
ΔvapS	84.48	J/mol×K	293.95	NIST

Datasets

1. Mass density, kg/m3 (1)
2. Thermal conductivity, W/m/K (1)

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
280.00	200000.00	744.07
280.00	180000.00	737.33
280.00	160000.00	729.89
280.00	140000.00	722.2
280.00	120000.00	713.77
280.00	100000.00	704.35
280.00	90000.00	699.3
280.00	80000.00	694.03
280.00	70000.00	688.43
280.00	60000.00	682.44
280.00	50000.00	675.94
280.00	40000.00	669.03
280.00	30000.00	661.46
280.00	20000.00	653.11
280.00	10000.00	643.42
280.00	5000.00	638.02
280.00	3000.00	635.86
280.00	2000.00	634.7
280.00	1000.00	633.54
300.00	200000.00	734.71
300.00	180000.00	727.5
300.00	160000.00	719.81
300.00	140000.00	711.75
300.00	120000.00	702.76
300.00	100000.00	692.98
300.00	90000.00	687.64
300.00	80000.00	682.03
300.00	70000.00	675.91
300.00	60000.00	669.45
300.00	50000.00	662.36
300.00	40000.00	654.71
300.00	30000.00	646.19
300.00	20000.00	636.61
300.00	10000.00	625.53
300.00	5000.00	619.26
300.00	3000.00	616.54
300.00	2000.00	615.18
300.00	1000.00	613.77
320.00	200000.00	725.65
320.00	180000.00	718.37
320.00	160000.00	710.26
320.00	140000.00	701.5
320.00	120000.00	691.83
320.00	100000.00	681.48
320.00	90000.00	675.83
320.00	80000.00	669.62
320.00	70000.00	662.98
320.00	60000.00	656.03
320.00	50000.00	648.39
320.00	40000.00	639.89
320.00	30000.00	630.46
320.00	20000.00	619.58
320.00	10000.00	606.77
320.00	5000.00	599.33
320.00	3000.00	596.07
320.00	2000.00	594.35
320.00	1000.00	592.72
340.00	200000.00	716.61
340.00	180000.00	708.89
340.00	160000.00	700.49
340.00	140000.00	691.52
340.00	120000.00	681.53
340.00	100000.00	670.52
340.00	90000.00	664.53
340.00	80000.00	658.05
340.00	70000.00	651.03
340.00	60000.00	643.45
340.00	50000.00	635.12
340.00	40000.00	625.82
340.00	30000.00	615.28
340.00	20000.00	602.92
340.00	10000.00	587.99
340.00	5000.00	578.97
340.00	3000.00	574.98
340.00	2000.00	572.85
340.00	1000.00	570.66
360.00	200000.00	708.18
360.00	180000.00	699.47
360.00	160000.00	691.16
360.00	140000.00	681.34
360.00	120000.00	671.11
360.00	100000.00	659.45
360.00	90000.00	652.93
360.00	80000.00	645.89
360.00	70000.00	638.43
360.00	60000.00	630.27
360.00	50000.00	621.15
360.00	40000.00	610.91
360.00	30000.00	599.16
360.00	20000.00	585.18
360.00	10000.00	567.71
360.00	5000.00	556.57
360.00	3000.00	551.5
360.00	2000.00	548.79
360.00	1000.00	545.89
380.00	200000.00	699.6
380.00	180000.00	691.12
380.00	160000.00	682.07
380.00	140000.00	672.14
380.00	120000.00	661.13
380.00	100000.00	648.74
380.00	90000.00	641.88
380.00	80000.00	634.41
380.00	70000.00	626.4
380.00	60000.00	617.61
380.00	50000.00	607.73
380.00	40000.00	596.53
380.00	30000.00	583.41
380.00	20000.00	567.43
380.00	10000.00	546.59
380.00	5000.00	532.71
380.00	3000.00	526.02
380.00	2000.00	522.38
380.00	1000.00	518.39
400.00	200000.00	691.58
400.00	180000.00	682.87
400.00	160000.00	673.54
400.00	140000.00	662.94
400.00	120000.00	651.4
400.00	100000.00	638.47
400.00	90000.00	631.33
400.00	80000.00	623.43
400.00	70000.00	614.87
400.00	60000.00	605.35
400.00	50000.00	594.58
400.00	40000.00	582.37
400.00	30000.00	567.78
400.00	20000.00	549.47
400.00	10000.00	524.35
400.00	5000.00	506.33
400.00	3000.00	497.03
400.00	2000.00	491.59
420.00	200000.00	683.74
420.00	180000.00	674.63
420.00	160000.00	664.82
420.00	140000.00	653.97
420.00	120000.00	641.97
420.00	100000.00	628.24
420.00	90000.00	620.5
420.00	80000.00	612.1
420.00	70000.00	602.84
420.00	60000.00	592.84
420.00	50000.00	581.15
420.00	40000.00	567.85
420.00	30000.00	551.51
420.00	20000.00	530.77
420.00	10000.00	500.48
420.00	5000.00	476.16
420.00	3000.00	461.88
420.00	2000.00	452.61
440.00	200000.00	676.01
440.00	180000.00	666.6
440.00	160000.00	656.44
440.00	140000.00	645.06
440.00	120000.00	632.51
440.00	100000.00	618.08
440.00	90000.00	610.1
440.00	80000.00	601.22
440.00	70000.00	591.44
440.00	60000.00	580.59
440.00	50000.00	568.08
440.00	40000.00	553.42
440.00	30000.00	535.46
440.00	20000.00	511.64
440.00	10000.00	474.4
440.00	5000.00	439.7
440.00	3000.00	412.99
298.14	177400.00	727.57
298.14	101400.00	694.83
298.14	40600.00	656.53
298.14	10200.00	627.35
323.13	196130.00	722.79
323.13	147100.00	703.2
323.13	98070.00	678.79
323.13	49030.00	645.8
368.12	196130.00	703.04
368.12	147100.00	681.34
368.12	98070.00	653.72
320.00	2000.00	595.25
320.00	1000.00	593.5
320.00	502.00	592.61
320.00	315.00	592.25
320.00	210.00	592.07
320.00	199.00	592.04
340.00	1000.00	571.14
340.00	513.00	570.01
340.00	420.00	569.78
340.00	338.00	569.61
360.00	1000.00	545.87
360.00	702.00	545.09
360.00	609.00	544.84
360.00	608.00	544.68
360.00	550.00	544.65
380.00	1001.00	519.03
380.00	962.00	518.87
380.00	857.00	518.44
380.00	846.00	518.39
400.00	2000.00	492.12
400.00	1611.00	489.83
400.00	1506.00	489.2
400.00	1309.00	487.97
400.00	1250.00	487.6
410.00	2000.00	474.02
410.00	1623.00	471.11
410.00	1519.00	470.27
420.00	2000.00	452.93
420.00	1904.00	451.92
420.00	1800.00	450.78
420.00	1789.00	450.66
Reference

Thermal conductivity, W/m/K

Fixed		Measured
Temperature, K - Gas	Pressure, kPa - Gas	Thermal conductivity, W/m/K - Gas
342.97	100.00	0.0195
352.61	100.00	0.0206
375.00	100.00	0.0235
390.75	100.00	0.0257
342.97	200.00	0.0196
352.61	200.00	0.0207
375.00	200.00	0.0236
390.75	200.00	0.0258
342.97	500.00	0.0198
352.61	500.00	0.0209
375.00	500.00	0.0238
390.75	500.00	0.0260
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.16e-07; 3360.92]	kPa	[113.25; 460.43]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.45140e+01
Coefficient B			-4.98703e+03
Coefficient C			-7.72933e+00
Coefficient D			8.65422e-06
Temperature range, min.			113.25
Temperature range, max.			460.43
Pvap	1.16e-07	kPa	113.25	Calculated Property
Pvap	9.53e-04	kPa	151.83	Calculated Property
Pvap	0.14	kPa	190.40	Calculated Property
Pvap	3.29	kPa	228.98	Calculated Property
Pvap	26.91	kPa	267.55	Calculated Property
Pvap	120.50	kPa	306.13	Calculated Property
Pvap	370.45	kPa	344.70	Calculated Property
Pvap	892.42	kPa	383.28	Calculated Property
Pvap	1828.60	kPa	421.85	Calculated Property
Pvap	3360.92	kPa	460.43	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 2-methyl-.

Mixtures

• Pentane + Butane, 2-methyl-
• Thiophene + Butane, 2-methyl-
• Thiophene, 3-methyl- + Butane, 2-methyl-
• 2-Butene, 2-methyl- + Butane, 2-methyl-
• Cyclopentene + Butane, 2-methyl-
• Carbon dioxide + Butane, 2-methyl-
• Butane, 2-methyl- + Water
• 2-Propanol, 2-methyl- + Butane, 2-methyl- + Water

Sources

• KDB Vapor Pressure Data
• Crippen Method
• The Precise Measurement of Vapor Liquid Equilibrium Properties of the CO2/Isopentane Binary Mixture, and Fitted Parameters for a Helmholtz Energy Mixture Model
• Thermal conductivity of polyurethane foam cell gases: Improved transient hot wire cell data of isopentane + n-pentane mixtures Extended Wassiljewa-model
• Isobaric vapor-liquid equilibrium for four binary systems of thiophene
• Isobaric vapor-liquid equilibrium for four binary systems of 3-methylthiophene
• Development of a Henry s constant correlation and solubility measurements of n-pentane, i-pentane, cyclopentane, n-hexane, and toluene in water
• P.rho.T and saturation properties of isopentane at T = (280-440) K and up to 200 MPa
• Isobaric Vapor Liquid Equilibrium for Nine Binary Systems of Cracking C5 Fraction at 250 kPa
• Saturated Liquid Viscosity of Cyclopentane and Isopentane
• Liquid-Liquid Equilibria in Ternary Systems 2-Methylbutane + 2-Methyl-2-propanol + Water and Pentane + 2-Methyl-2-propanol + Water at 293.15 K
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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