Chemical Properties of Pentane, 2,3,3-trimethyl- (CAS 560-21-4)

InChI

InChI=1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3

InChI Key

OKVWYBALHQFVFP-UHFFFAOYSA-N

Formula

C8H18

SMILES

CCC(C)(C)C(C)C

Molecular Weight¹

114.23

CAS

560-21-4

Other Names

• 2,3,3-Trimethylpentane
• C2H5C(CH3)2CH(CH3)2

• 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).
• C_sat : Molar heat capacity at saturation pressure (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_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).
• NFPA Fire : NFPA Fire Rating.
• 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.
• γ : Surface Tension (N/m).
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2900		KDB
AP	340.150	K	KDB
ΔcH°liquid	-5467.00 ± 1.30	kJ/mol	NIST
ΔfG°	18.92	kJ/mol	KDB
Δc,grossH	5466.98	kJ/mol	KDB
Δc,netH	5070.841	kJ/mol	KDB
ΔfH°gas	[-216.60; -216.40]	kJ/mol
ΔfH°gas	-216.60	kJ/mol	KDB
ΔfH°gas	-216.40 ± 1.40	kJ/mol	NIST
ΔfH°liquid	-253.70 ± 1.40	kJ/mol	NIST
ΔfusH°	5.54	kJ/mol	Joback Calculated Property
ΔvapH°	[36.90; 37.70]	kJ/mol
ΔvapH°	37.33	kJ/mol	NIST
ΔvapH°	37.70 ± 0.10	kJ/mol	NIST
ΔvapH°	37.60 ± 0.10	kJ/mol	NIST
ΔvapH°	36.90	kJ/mol	NIST
ΔvapH°	37.20	kJ/mol	NIST
ΔvapH°	36.90 ± 0.10	kJ/mol	NIST
ΔvapH°	36.90 ± 0.10	kJ/mol	NIST
ΔvapH°	37.20 ± 0.10	kJ/mol	NIST
ΔvapH°	37.21	kJ/mol	NIST
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
Pc	[2820.00; 2820.20]	kPa
Pc	2820.00	kPa	KDB
Pc	2820.00 ± 40.00	kPa	NIST
Pc	2820.20 ± 40.53	kPa	NIST
ρc	[251.30; 251.30]	kg/m3
ρc	251.30 ± 4.57	kg/m3	NIST
ρc	251.30 ± 4.57	kg/m3	NIST
Inp	[720.60; 770.00]
Inp	761.00		NIST
Inp	764.80		NIST
Inp	754.00		NIST
Inp	761.40		NIST
Inp	761.30		NIST
Inp	761.40		NIST
Inp	761.40		NIST
Inp	761.40		NIST
Inp	757.00		NIST
Inp	758.50		NIST
Inp	762.75		NIST
Inp	756.90		NIST
Inp	757.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	761.00		NIST
Inp	759.00		NIST
Inp	763.00		NIST
Inp	764.53		NIST
Inp	767.27		NIST
Inp	769.65		NIST
Inp	759.95		NIST
Inp	762.11		NIST
Inp	755.00		NIST
Inp	757.00		NIST
Inp	755.00		NIST
Inp	757.00		NIST
Inp	758.00		NIST
Inp	759.00		NIST
Inp	761.00		NIST
Inp	759.60		NIST
Inp	762.00		NIST
Inp	755.00		NIST
Inp	765.00		NIST
Inp	757.00		NIST
Inp	754.00		NIST
Inp	760.00		NIST
Inp	763.00		NIST
Inp	767.00		NIST
Inp	756.00		NIST
Inp	760.00		NIST
Inp	756.00		NIST
Inp	760.00		NIST
Inp	764.00		NIST
Inp	757.00		NIST
Inp	761.00		NIST
Inp	764.00		NIST
Inp	747.00		NIST
Inp	766.00		NIST
Inp	Outlier 720.60		NIST
Inp	755.00		NIST
Inp	768.00		NIST
Inp	755.40		NIST
Inp	747.00		NIST
Inp	763.09		NIST
Inp	759.00		NIST
Inp	770.00		NIST
Inp	763.00		NIST
Inp	759.00		NIST
Inp	758.00		NIST
Inp	756.00		NIST
Inp	753.00		NIST
Inp	767.00		NIST
Inp	759.00		NIST
Inp	749.00		NIST
Inp	762.00		NIST
Inp	761.00		NIST
Inp	757.00		NIST
Inp	750.00		NIST
Inp	749.00		NIST
Inp	Outlier 720.60		NIST
Inp	759.00		NIST
Inp	767.00		NIST
Inp	757.00		NIST
Tboil	[383.95; 390.45]	K
Tboil	387.90	K	KDB
Tboil	387.90	K	NIST
Tboil	387.90	K	NIST
Tboil	387.94 ± 0.10	K	NIST
Tboil	387.91 ± 0.20	K	NIST
Tboil	387.40 ± 2.00	K	NIST
Tboil	387.40 ± 0.40	K	NIST
Tboil	387.85 ± 0.30	K	NIST
Tboil	Outlier 390.45 ± 0.50	K	NIST
Tboil	387.65 ± 0.30	K	NIST
Tboil	387.75 ± 0.30	K	NIST
Tboil	387.85 ± 0.30	K	NIST
Tboil	387.91 ± 0.10	K	NIST
Tboil	387.85 ± 0.50	K	NIST
Tboil	387.91 ± 0.02	K	NIST
Tboil	388.05 ± 0.20	K	NIST
Tboil	386.00 ± 2.00	K	NIST
Tboil	388.05 ± 0.20	K	NIST
Tboil	387.91 ± 0.05	K	NIST
Tboil	387.85 ± 0.30	K	NIST
Tboil	387.80 ± 0.50	K	NIST
Tboil	Outlier 383.95 ± 0.60	K	NIST
Tc	[573.49; 573.50]	K
Tc	573.50	K	KDB
Tc	573.50 ± 0.50	K	NIST
Tc	573.49 ± 0.40	K	NIST
Tfus	[170.15; 172.45]	K
Tfus	172.22	K	KDB
Tfus	171.73 ± 0.20	K	NIST
Tfus	172.17 ± 0.05	K	NIST
Tfus	172.18 ± 0.04	K	NIST
Tfus	172.19 ± 0.02	K	NIST
Tfus	170.75 ± 1.00	K	NIST
Tfus	171.55 ± 0.15	K	NIST
Tfus	Outlier 170.15 ± 1.00	K	NIST
Tfus	170.75 ± 0.50	K	NIST
Tfus	171.49 ± 0.02	K	NIST
Tfus	171.80 ± 0.15	K	NIST
Tfus	172.45 ± 0.10	K	NIST
Tfus	172.11 ± 0.12	K	NIST
Tfus	171.45 ± 0.10	K	NIST
Tfus	170.75 ± 0.50	K	NIST
Vc	[0.455; 0.455]	m3/kmol
Vc	0.455	m3/kmol	KDB
Vc	0.455	m3/kmol	NIST
Zc	0.2690860		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.11; 313.38]	J/mol×K	[378.97; 557.39]
Cp,gas	233.11	J/mol×K	378.97	Joback Calculated Property
Cp,gas	248.15	J/mol×K	408.71	Joback Calculated Property
Cp,gas	262.50	J/mol×K	438.44	Joback Calculated Property
Cp,gas	276.17	J/mol×K	468.18	Joback Calculated Property
Cp,gas	289.20	J/mol×K	497.91	Joback Calculated Property
Cp,gas	301.59	J/mol×K	527.65	Joback Calculated Property
Cp,gas	313.38	J/mol×K	557.39	Joback Calculated Property
Cp,liquid	245.56	J/mol×K	298.15	NIST
Csat	[238.60; 258.70]	J/mol×K	[290.00; 310.00]
Csat	238.60	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	245.50	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	247.30	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	258.70	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
η	[0.0002686; 0.0236666]	Pa×s	[167.34; 378.97]
η	0.0236666	Pa×s	167.34	Joback Calculated Property
η	0.0058585	Pa×s	202.61	Joback Calculated Property
η	0.0021940	Pa×s	237.88	Joback Calculated Property
η	0.0010589	Pa×s	273.15	Joback Calculated Property
η	0.0006037	Pa×s	308.43	Joback Calculated Property
η	0.0003863	Pa×s	343.70	Joback Calculated Property
η	0.0002686	Pa×s	378.97	Joback Calculated Property
ΔvapH	[32.12; 37.10]	kJ/mol	[308.00; 387.90]
ΔvapH	36.90 ± 0.10	kJ/mol	308.00	NIST
ΔvapH	37.10 ± 0.10	kJ/mol	308.00	NIST
ΔvapH	36.60 ± 0.10	kJ/mol	315.00	NIST
ΔvapH	36.50 ± 0.10	kJ/mol	315.00	NIST
ΔvapH	36.00 ± 0.10	kJ/mol	323.00	NIST
ΔvapH	36.00 ± 0.10	kJ/mol	323.00	NIST
ΔvapH	35.50 ± 0.10	kJ/mol	330.00	NIST
ΔvapH	35.50 ± 0.10	kJ/mol	330.00	NIST
ΔvapH	35.10 ± 0.10	kJ/mol	338.00	NIST
ΔvapH	35.10 ± 0.10	kJ/mol	338.00	NIST
ΔvapH	36.10	kJ/mol	345.00	NIST
ΔvapH	34.80 ± 0.10	kJ/mol	348.00	NIST
ΔvapH	34.40 ± 0.10	kJ/mol	348.00	NIST
ΔvapH	36.40	kJ/mol	349.00	NIST
ΔvapH	34.10 ± 0.10	kJ/mol	358.00	NIST
ΔvapH	33.90 ± 0.10	kJ/mol	358.00	NIST
ΔvapH	33.50 ± 0.10	kJ/mol	368.00	NIST
ΔvapH	33.30 ± 0.10	kJ/mol	368.00	NIST
ΔvapH	32.34	kJ/mol	387.90	KDB
ΔvapH	32.12	kJ/mol	387.90	NIST
n0	1.40522		298.15	KDB
ρl	726.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[279.49; 415.11]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41778e+01
Coefficient B			-3.32462e+03
Coefficient C			-4.01370e+01
Temperature range, min.			279.49
Temperature range, max.			415.11
Pvap	1.33	kPa	279.49	Calculated Property
Pvap	3.04	kPa	294.56	Calculated Property
Pvap	6.30	kPa	309.63	Calculated Property
Pvap	12.11	kPa	324.70	Calculated Property
Pvap	21.80	kPa	339.77	Calculated Property
Pvap	37.09	kPa	354.83	Calculated Property
Pvap	60.10	kPa	369.90	Calculated Property
Pvap	93.37	kPa	384.97	Calculated Property
Pvap	139.81	kPa	400.04	Calculated Property
Pvap	202.66	kPa	415.11	Calculated Property
Pvap	[1.69e-05; 2806.88]	kPa	[172.22; 573.50]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.59740e+01
Coefficient B			-6.89717e+03
Coefficient C			-9.14884e+00
Coefficient D			6.39547e-06
Temperature range, min.			172.22
Temperature range, max.			573.50
Pvap	1.69e-05	kPa	172.22	Calculated Property
Pvap	8.66e-03	kPa	216.81	Calculated Property
Pvap	0.41	kPa	261.39	Calculated Property
Pvap	5.30	kPa	305.98	Calculated Property
Pvap	32.38	kPa	350.57	Calculated Property
Pvap	123.32	kPa	395.15	Calculated Property
Pvap	345.34	kPa	439.74	Calculated Property
Pvap	787.13	kPa	484.33	Calculated Property
Pvap	1559.48	kPa	528.91	Calculated Property
Pvap	2806.88	kPa	573.50	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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