Chemical Properties of Pentane, 2,3,4-trimethyl- (CAS 565-75-3)

InChI

InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3

InChI Key

RLPGDEORIPLBNF-UHFFFAOYSA-N

Formula

C8H18

SMILES

CC(C)C(C)C(C)C

Molecular Weight¹

114.23

CAS

565-75-3

Other Names

• (CH3)2CHCH(CH3)CH(CH3)2
• 2,3,4-Trimethylpentane

• ω : Acentric Factor.
• AP : Aniline Point (K).
• 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_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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).
• 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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3150		KDB
AP	341.450	K	KDB
ΔcH°liquid	-5465.50 ± 1.60	kJ/mol	NIST
ΔfG°	18.92	kJ/mol	KDB
Δc,grossH	5465.48	kJ/mol	KDB
Δc,netH	5069.335	kJ/mol	KDB
ΔfH°gas	[-217.60; -217.40]	kJ/mol
ΔfH°gas	-217.60	kJ/mol	KDB
ΔfH°gas	-217.40 ± 1.70	kJ/mol	NIST
ΔfH°liquid	-255.20 ± 1.70	kJ/mol	NIST
ΔfusH°	5.91	kJ/mol	Joback Calculated Property
ΔvapH°	[37.70; 37.82]	kJ/mol
ΔvapH°	37.82	kJ/mol	NIST
ΔvapH°	37.70 ± 0.10	kJ/mol	NIST
ΔvapH°	37.70	kJ/mol	NIST
ΔvapH°	37.70 ± 0.10	kJ/mol	NIST
ΔvapH°	37.70	kJ/mol	NIST
log10WS	[-4.80; -4.80]
log10WS	-4.80		Aq. Sol...
log10WS	-4.80		Estimat...
logPoct/wat	2.934		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Pc	[2729.80; 2730.00]	kPa
Pc	2730.00	kPa	KDB
Pc	2730.00 ± 40.00	kPa	NIST
Pc	2729.80 ± 40.53	kPa	NIST
ρc	[247.88; 247.88]	kg/m3
ρc	247.88 ± 4.57	kg/m3	NIST
ρc	247.88 ± 4.57	kg/m3	NIST
Inp	[743.00; 771.30]
Inp	747.10		NIST
Inp	750.20		NIST
Inp	Outlier 765.10		NIST
Inp	743.00		NIST
Inp	745.00		NIST
Inp	Outlier 765.60		NIST
Inp	Outlier 771.30		NIST
Inp	749.00		NIST
Inp	Outlier 764.20		NIST
Inp	743.00		NIST
Inp	Outlier 765.00		NIST
Inp	752.00		NIST
Inp	748.00		NIST
Inp	750.00		NIST
Inp	754.00		NIST
Inp	751.60		NIST
Inp	755.05		NIST
Inp	748.40		NIST
Inp	749.80		NIST
Inp	751.20		NIST
Inp	752.70		NIST
Inp	747.00		NIST
Inp	748.00		NIST
Inp	749.00		NIST
Inp	750.00		NIST
Inp	752.00		NIST
Inp	754.00		NIST
Inp	748.30		NIST
Inp	749.60		NIST
Inp	751.00		NIST
Inp	752.50		NIST
Inp	754.00		NIST
Inp	755.60		NIST
Inp	751.90		NIST
Inp	751.90		NIST
Inp	750.00		NIST
Inp	750.00		NIST
Inp	750.00		NIST
Inp	748.20		NIST
Inp	749.70		NIST
Inp	751.30		NIST
Inp	752.90		NIST
Inp	754.60		NIST
Inp	756.40		NIST
Inp	747.70		NIST
Inp	748.30		NIST
Inp	749.30		NIST
Inp	750.10		NIST
Inp	751.10		NIST
Inp	752.00		NIST
Inp	755.00		NIST
Inp	756.00		NIST
Inp	754.00		NIST
Inp	754.00		NIST
Inp	754.00		NIST
Inp	755.50		NIST
Inp	752.00		NIST
Inp	755.00		NIST
Inp	750.00		NIST
Inp	750.00		NIST
Inp	752.00		NIST
Inp	752.00		NIST
Inp	748.00		NIST
Inp	750.00		NIST
Inp	751.00		NIST
Inp	752.00		NIST
Inp	754.00		NIST
Inp	752.50		NIST
Inp	754.00		NIST
Inp	748.00		NIST
Inp	758.00		NIST
Inp	751.00		NIST
Inp	749.00		NIST
Inp	752.00		NIST
Inp	755.00		NIST
Inp	757.00		NIST
Inp	750.50		NIST
Inp	753.00		NIST
Inp	750.00		NIST
Inp	752.00		NIST
Inp	756.00		NIST
Inp	751.00		NIST
Inp	754.00		NIST
Inp	756.00		NIST
Inp	743.00		NIST
Inp	753.00		NIST
Inp	746.70		NIST
Inp	752.00		NIST
Inp	759.00		NIST
Inp	743.63		NIST
Inp	747.60		NIST
Inp	744.80		NIST
Inp	748.00		NIST
Inp	745.00		NIST
Inp	743.00		NIST
Inp	757.70		NIST
Inp	748.00		NIST
Inp	748.00		NIST
Inp	752.00		NIST
Inp	749.00		NIST
Inp	752.00		NIST
Inp	759.00		NIST
Inp	755.00		NIST
Inp	746.00		NIST
Inp	752.00		NIST
Inp	750.00		NIST
Inp	749.00		NIST
Inp	751.00		NIST
Inp	750.00		NIST
Inp	757.00		NIST
Inp	752.00		NIST
Inp	754.00		NIST
Inp	754.00		NIST
Inp	748.00		NIST
Inp	746.00		NIST
Inp	746.00		NIST
Inp	743.00		NIST
Inp	744.00		NIST
Inp	743.00		NIST
Inp	744.00		NIST
Inp	750.00		NIST
Inp	761.00		NIST
Inp	760.00		NIST
Inp	761.00		NIST
Inp	760.00		NIST
Inp	759.00		NIST
Inp	745.00		NIST
S°gas	427.20 ± 1.30	J/mol×K	NIST
S°liquid	329.32	J/mol×K	NIST
Tboil	386.60	K	KDB
Tc	[566.30; 566.40]	K
Tc	566.40	K	KDB
Tc	566.40 ± 0.50	K	NIST
Tc	566.30	K	NIST
Tc	566.34 ± 0.50	K	NIST
Tfus	[163.75; 163.90]	K
Tfus	163.90	K	KDB
Tfus	163.75	K	Aq. Sol...
Ttriple	163.63 ± 0.12	K	NIST
Vc	[0.460; 0.460]	m3/kmol
Vc	0.460	m3/kmol	KDB
Vc	0.460	m3/kmol	NIST
Zc	0.2666620		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.50; 304.96]	J/mol×K	[373.15; 523.15]
Cp,gas	233.50 ± 0.47	J/mol×K	373.15	NIST
Cp,gas	246.46 ± 0.49	J/mol×K	398.15	NIST
Cp,gas	248.11	J/mol×K	402.80	NIST
Cp,gas	251.50 ± 2.50	J/mol×K	417.00	NIST
Cp,gas	258.52 ± 0.52	J/mol×K	423.15	NIST
Cp,gas	271.05 ± 0.54	J/mol×K	448.15	NIST
Cp,gas	276.98	J/mol×K	463.60	NIST
Cp,gas	283.03 ± 0.57	J/mol×K	473.15	NIST
Cp,gas	293.98 ± 0.59	J/mol×K	498.15	NIST
Cp,gas	303.34	J/mol×K	521.60	NIST
Cp,gas	304.96 ± 0.61	J/mol×K	523.15	NIST
Cp,liquid	[246.23; 247.32]	J/mol×K	[293.79; 298.15]
Cp,liquid	246.23	J/mol×K	293.79	NIST
Cp,liquid	247.32	J/mol×K	298.15	NIST
η	[0.0002228; 0.0624902]	Pa×s	[134.92; 381.12]
η	0.0624902	Pa×s	134.92	Joback Calculated Property
η	0.0081685	Pa×s	175.95	Joback Calculated Property
η	0.0023051	Pa×s	216.99	Joback Calculated Property
η	0.0009727	Pa×s	258.02	Joback Calculated Property
η	0.0005201	Pa×s	299.05	Joback Calculated Property
η	0.0003235	Pa×s	340.09	Joback Calculated Property
η	0.0002228	Pa×s	381.12	Joback Calculated Property
ΔfusH	[9.27; 9.27]	kJ/mol	[163.60; 163.63]
ΔfusH	9.27	kJ/mol	163.60	NIST
ΔfusH	9.27	kJ/mol	163.60	NIST
ΔfusH	9.27	kJ/mol	163.63	NIST
ΔvapH	[32.36; 41.30]	kJ/mol	[250.50; 386.60]
ΔvapH	39.80	kJ/mol	250.50	NIST
ΔvapH	39.10	kJ/mol	256.00	NIST
ΔvapH	41.30	kJ/mol	324.50	NIST
ΔvapH	37.70	kJ/mol	344.00	NIST
ΔvapH	36.70	kJ/mol	349.00	NIST
ΔvapH	32.36	kJ/mol	386.60	NIST
ΔvapH	32.73	kJ/mol	386.60	KDB
n0	1.40198		298.15	KDB
ρl	719.00	kg/m3	293.00	KDB
ΔfusS	56.64	J/mol×K	163.63	NIST
γ	0.02	N/m	298.20	KDB
λ	[0.10; 0.11]	W/m×K	[259.06; 332.39]
λ	0.11	W/m×K	259.06	Thermal...
λ	0.11	W/m×K	259.29	Thermal...
λ	0.11	W/m×K	259.54	Thermal...
λ	0.11	W/m×K	277.95	Thermal...
λ	0.11	W/m×K	278.19	Thermal...
λ	0.11	W/m×K	278.44	Thermal...
λ	0.10	W/m×K	297.33	Thermal...
λ	0.10	W/m×K	297.58	Thermal...
λ	0.10	W/m×K	297.84	Thermal...
λ	0.10	W/m×K	315.53	Thermal...
λ	0.10	W/m×K	315.77	Thermal...
λ	0.10	W/m×K	316.03	Thermal...
λ	0.10	W/m×K	331.87	Thermal...
λ	0.10	W/m×K	332.13	Thermal...
λ	0.10	W/m×K	332.39	Thermal...

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
283.15	130.00	728.3
283.15	4973.00	732.2
283.15	9993.00	736.0
283.15	14965.00	739.6
283.15	20000.00	743.0
283.15	25003.00	746.3
283.15	29990.00	749.5
283.15	35009.00	752.5
283.15	39961.00	755.4
283.15	45014.00	758.3
283.15	49986.00	761.0
283.15	54944.00	763.6
283.15	60030.00	766.3
283.15	65014.00	768.8
288.15	102.00	724.3
288.15	5015.00	728.4
288.15	9991.00	732.3
288.15	14975.00	736.0
288.15	20038.00	739.6
288.15	25021.00	743.0
288.15	29929.00	746.1
288.15	35037.00	749.3
288.15	40039.00	752.3
288.15	44998.00	755.2
288.15	49927.00	757.9
288.15	54967.00	760.6
288.15	59925.00	763.2
288.15	65032.00	765.9
293.15	111.00	720.4
293.15	5021.00	724.6
293.15	9998.00	728.6
293.15	14997.00	732.4
293.15	19997.00	736.1
293.15	25022.00	739.6
293.15	29930.00	742.8
293.15	34968.00	746.0
293.15	39974.00	749.1
293.15	45009.00	752.0
293.15	49965.00	754.9
293.15	54987.00	757.6
293.15	59945.00	760.3
293.15	65000.00	762.9
298.15	105.00	716.2
298.15	5072.00	720.6
298.15	9964.00	724.7
298.15	15013.00	728.7
298.15	20054.00	732.5
298.15	25008.00	736.0
298.15	29968.00	739.4
298.15	34937.00	742.6
298.15	40018.00	745.8
298.15	45064.00	748.8
298.15	50010.00	751.7
298.15	55015.00	754.5
298.15	59955.00	757.2
298.15	65024.00	759.9
303.15	100.00	712.0
303.15	4934.00	716.5
303.15	10038.00	720.9
303.15	14973.00	724.9
303.15	19957.00	728.7
303.15	25002.00	732.4
303.15	29980.00	735.9
303.15	34972.00	739.3
303.15	39972.00	742.5
303.15	44990.00	745.6
303.15	49984.00	748.5
303.15	54948.00	751.4
303.15	59951.00	754.2
303.15	65040.00	756.9
308.15	92.00	707.8
308.15	5051.00	712.5
308.15	9961.00	716.8
308.15	14959.00	721.0
308.15	20027.00	725.0
308.15	25025.00	728.8
308.15	29996.00	732.4
308.15	34959.00	735.7
308.15	40017.00	739.1
308.15	45023.00	742.2
308.15	49965.00	745.2
308.15	54977.00	748.2
308.15	60020.00	751.0
308.15	64995.00	753.8
313.15	99.00	703.6
313.15	4997.00	708.5
313.15	9998.00	713.1
313.15	15010.00	717.4
313.15	19994.00	721.4
313.15	25007.00	725.3
313.15	29995.00	729.0
313.15	35008.00	732.4
313.15	39993.00	735.8
313.15	45005.00	739.0
313.15	49990.00	742.1
313.15	55003.00	745.1
313.15	59996.00	748.0
313.15	64993.00	750.8
318.15	104.00	699.5
318.15	4961.00	704.4
318.15	10003.00	709.2
318.15	15026.00	713.7
318.15	19937.00	717.8
318.15	25012.00	721.8
318.15	29990.00	725.5
318.15	34991.00	729.1
318.15	39976.00	732.5
318.15	45028.00	735.8
318.15	49973.00	739.0
318.15	54916.00	742.0
318.15	59988.00	744.9
318.15	65015.00	747.8
323.15	111.00	695.4
323.15	5025.00	700.6
323.15	10013.00	705.5
323.15	14973.00	710.0
323.15	20028.00	714.4
323.15	25014.00	718.4
323.15	29976.00	722.2
323.15	34994.00	725.9
323.15	39992.00	729.4
323.15	45046.00	732.8
323.15	49980.00	736.0
323.15	54968.00	739.1
323.15	59988.00	742.1
323.15	65068.00	745.0
328.15	94.00	691.3
328.15	4971.00	696.6
328.15	9997.00	701.7
328.15	14959.00	706.4
328.15	19969.00	710.9
328.15	25055.00	715.1
328.15	29960.00	719.0
328.15	34966.00	722.7
328.15	40013.00	726.3
328.15	45034.00	729.8
328.15	50015.00	733.1
328.15	54973.00	736.2
328.15	59955.00	739.2
328.15	64992.00	742.2
333.15	95.00	687.1
333.15	4934.00	692.6
333.15	9973.00	697.9
333.15	14973.00	702.8
333.15	19993.00	707.4
333.15	24959.00	711.6
333.15	29952.00	715.7
333.15	34974.00	719.5
333.15	39961.00	723.2
333.15	44999.00	726.7
333.15	49992.00	730.1
333.15	54798.00	733.2
333.15	59952.00	736.4
333.15	65050.00	739.5
338.15	115.00	683.1
338.15	4978.00	688.9
338.15	9970.00	694.3
338.15	14966.00	699.3
338.15	19960.00	703.9
338.15	24994.00	708.4
338.15	30030.00	712.5
338.15	34973.00	716.3
338.15	39979.00	720.0
338.15	45024.00	723.6
338.15	50019.00	727.1
338.15	54928.00	730.3
338.15	59953.00	733.5
338.15	64998.00	736.6
343.15	109.00	678.8
343.15	5084.00	684.9
343.15	9963.00	690.4
343.15	15039.00	695.6
343.15	20010.00	700.4
343.15	24998.00	704.9
343.15	30054.00	709.2
343.15	35048.00	713.2
343.15	40023.00	717.0
343.15	44967.00	720.6
343.15	50023.00	724.2
343.15	54967.00	727.5
343.15	59995.00	730.7
343.15	64954.00	733.8
348.15	112.00	674.5
348.15	5011.00	680.8
348.15	10066.00	686.6
348.15	14992.00	691.9
348.15	19955.00	696.8
348.15	25042.00	701.5
348.15	29986.00	705.8
348.15	35004.00	709.9
348.15	40002.00	713.9
348.15	44996.00	717.6
348.15	49994.00	721.1
348.15	54995.00	724.6
348.15	60005.00	727.9
348.15	65009.00	731.0
353.15	109.00	670.1
353.15	4963.00	676.6
353.15	9919.00	682.5
353.15	15039.00	688.2
353.15	19995.00	693.2
353.15	24983.00	698.0
353.15	29960.00	702.4
353.15	34985.00	706.7
353.15	39983.00	710.7
353.15	45037.00	714.5
353.15	49989.00	718.1
353.15	54953.00	721.6
353.15	59909.00	724.9
353.15	65052.00	728.2
358.15	118.00	665.9
358.15	4955.00	672.5
358.15	9916.00	678.7
358.15	15035.00	684.5
358.15	19946.00	689.6
358.15	25037.00	694.6
358.15	29963.00	699.2
358.15	35027.00	703.4
358.15	40010.00	707.5
358.15	44955.00	711.4
358.15	50023.00	715.1
358.15	54980.00	718.7
358.15	59952.00	722.0
358.15	65021.00	725.4
363.15	101.00	661.3
363.15	4941.00	668.3
363.15	9928.00	674.7
363.15	15005.00	680.6
363.15	19958.00	686.0
363.15	24923.00	691.0
363.15	29983.00	695.8
363.15	34922.00	700.1
363.15	39992.00	704.4
363.15	45038.00	708.4
363.15	49985.00	712.2
363.15	54981.00	715.8
363.15	59985.00	719.3
363.15	65038.00	722.6
Reference

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[279.22; 413.45]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42673e+01
Coefficient B			-3.34524e+03
Coefficient C			-3.99270e+01
Temperature range, min.			279.22
Temperature range, max.			413.45
Pvap	1.33	kPa	279.22	Calculated Property
Pvap	3.03	kPa	294.13	Calculated Property
Pvap	6.28	kPa	309.05	Calculated Property
Pvap	12.06	kPa	323.96	Calculated Property
Pvap	21.70	kPa	338.88	Calculated Property
Pvap	36.93	kPa	353.79	Calculated Property
Pvap	59.90	kPa	368.71	Calculated Property
Pvap	93.14	kPa	383.62	Calculated Property
Pvap	139.62	kPa	398.54	Calculated Property
Pvap	202.63	kPa	413.45	Calculated Property
Pvap	[3.04e-06; 2702.14]	kPa	[163.95; 566.30]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.53988e+01
Coefficient B			-6.92178e+03
Coefficient C			-9.02988e+00
Coefficient D			6.13464e-06
Temperature range, min.			163.95
Temperature range, max.			566.30
Pvap	3.04e-06	kPa	163.95	Calculated Property
Pvap	3.24e-03	kPa	208.66	Calculated Property
Pvap	0.22	kPa	253.36	Calculated Property
Pvap	3.58	kPa	298.07	Calculated Property
Pvap	24.98	kPa	342.77	Calculated Property
Pvap	103.66	kPa	387.48	Calculated Property
Pvap	307.29	kPa	432.18	Calculated Property
Pvap	727.54	kPa	476.89	Calculated Property
Pvap	1477.92	kPa	521.59	Calculated Property
Pvap	2702.14	kPa	566.30	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 2,3,4-trimethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
• P-r-T Data and Derivative Properties of 3-Methylpentane, 2,4-Dimethylpentane, and 2,3,4-Trimethylpentane from 283.15 to 363.15 K at Pressures up to 65 MPa
• Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
• 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.
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