Chemical Properties of Pentane, 2,2,3-trimethyl- (CAS 564-02-3)

InChI

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

InChI Key

XTDQDBVBDLYELW-UHFFFAOYSA-N

Formula

C8H18

SMILES

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

Molecular Weight¹

114.23

CAS

564-02-3

Other Names

• (CH3)3CCH(CH3)CH2CH3
• 2,2,3-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).
• 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).
• 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	0.2970		KDB
AP	343.950	K	KDB
ΔcH°liquid	-5463.60 ± 1.40	kJ/mol	NIST
ΔfG°	17.12	kJ/mol	KDB
Δc,grossH	5463.59	kJ/mol	KDB
Δc,netH	5067.452	kJ/mol	KDB
ΔfH°gas	[-220.30; -220.10]	kJ/mol
ΔfH°gas	-220.30	kJ/mol	KDB
ΔfH°gas	-220.10 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-257.10 ± 1.50	kJ/mol	NIST
ΔfusH°	5.54	kJ/mol	Joback Calculated Property
ΔvapH°	[36.91; 36.98]	kJ/mol
ΔvapH°	36.98	kJ/mol	NIST
ΔvapH°	36.91	kJ/mol	NIST
log10WS	-2.69		Crippen Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
Pc	[2729.40; 2730.00]	kPa
Pc	2730.00	kPa	KDB
Pc	2730.00 ± 40.00	kPa	NIST
Pc	2729.40 ± 40.53	kPa	NIST
ρc	[261.58; 261.58]	kg/m3
ρc	261.58 ± 4.57	kg/m3	NIST
ρc	261.58 ± 4.57	kg/m3	NIST
Inp	[726.90; 745.00]
Inp	739.00		NIST
Inp	730.00		NIST
Inp	741.40		NIST
Inp	733.00		NIST
Inp	736.00		NIST
Inp	736.00		NIST
Inp	739.10		NIST
Inp	737.00		NIST
Inp	738.00		NIST
Inp	739.00		NIST
Inp	733.40		NIST
Inp	734.30		NIST
Inp	735.10		NIST
Inp	735.90		NIST
Inp	736.00		NIST
Inp	736.00		NIST
Inp	734.00		NIST
Inp	734.00		NIST
Inp	734.00		NIST
Inp	741.00		NIST
Inp	742.00		NIST
Inp	738.00		NIST
Inp	739.00		NIST
Inp	737.00		NIST
Inp	740.00		NIST
Inp	734.00		NIST
Inp	736.00		NIST
Inp	732.00		NIST
Inp	734.00		NIST
Inp	734.00		NIST
Inp	736.00		NIST
Inp	738.00		NIST
Inp	737.30		NIST
Inp	740.00		NIST
Inp	740.00		NIST
Inp	740.00		NIST
Inp	739.00		NIST
Inp	734.00		NIST
Inp	742.00		NIST
Inp	736.00		NIST
Inp	733.00		NIST
Inp	737.00		NIST
Inp	740.00		NIST
Inp	743.00		NIST
Inp	734.00		NIST
Inp	737.00		NIST
Inp	735.00		NIST
Inp	737.00		NIST
Inp	741.00		NIST
Inp	736.00		NIST
Inp	739.00		NIST
Inp	741.00		NIST
Inp	728.00		NIST
Inp	737.00		NIST
Inp	730.80		NIST
Inp	732.00		NIST
Inp	Outlier 726.90		NIST
Inp	Outlier 726.90		NIST
Inp	733.00		NIST
Inp	730.00		NIST
Inp	727.92		NIST
Inp	729.78		NIST
Inp	730.95		NIST
Inp	728.57		NIST
Inp	730.36		NIST
Inp	731.52		NIST
Inp	737.00		NIST
Inp	Outlier 745.00		NIST
Inp	740.00		NIST
Inp	732.00		NIST
Inp	734.00		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	737.00		NIST
Inp	739.00		NIST
Inp	739.00		NIST
Inp	730.00		NIST
Inp	734.00		NIST
Inp	739.00		NIST
Inp	736.00		NIST
Inp	733.40		NIST
Inp	742.00		NIST
Inp	734.00		NIST
Inp	740.00		NIST
Inp	733.00		NIST
Inp	737.00		NIST
Tboil	[382.97; 383.80]	K
Tboil	383.00	K	KDB
Tboil	383.20	K	NIST
Tboil	383.00	K	NIST
Tboil	383.00 ± 0.20	K	NIST
Tboil	383.15 ± 0.30	K	NIST
Tboil	383.22 ± 0.50	K	NIST
Tboil	383.25 ± 0.50	K	NIST
Tboil	383.00 ± 0.15	K	NIST
Tboil	382.99 ± 0.05	K	NIST
Tboil	383.15 ± 0.50	K	NIST
Tboil	382.99 ± 0.02	K	NIST
Tboil	383.10 ± 0.15	K	NIST
Tboil	383.10 ± 0.15	K	NIST
Tboil	382.99 ± 0.05	K	NIST
Tboil	382.97 ± 0.10	K	NIST
Tboil	383.15 ± 0.20	K	NIST
Tboil	383.25 ± 0.60	K	NIST
Tboil	382.99 ± 0.20	K	NIST
Tboil	383.20 ± 0.20	K	NIST
Tboil	383.25 ± 0.20	K	NIST
Tboil	Outlier 383.80 ± 0.40	K	NIST
Tc	[563.43; 563.50]	K
Tc	563.50	K	KDB
Tc	563.50 ± 0.50	K	NIST
Tc	563.43 ± 0.40	K	NIST
Tfus	[159.85; 160.89]	K
Tfus	160.89	K	KDB
Tfus	160.70 ± 0.30	K	NIST
Tfus	160.87 ± 0.20	K	NIST
Tfus	159.85 ± 0.50	K	NIST
Tfus	160.83 ± 0.30	K	NIST
Tfus	159.85 ± 0.50	K	NIST
Tfus	160.69 ± 0.02	K	NIST
Tfus	160.77 ± 0.20	K	NIST
Tfus	160.80 ± 0.10	K	NIST
Tfus	160.88 ± 0.07	K	NIST
Tfus	159.85 ± 0.20	K	NIST
Tfus	160.83 ± 0.06	K	NIST
Vc	[0.436; 0.436]	m3/kmol
Vc	0.436	m3/kmol	KDB
Vc	0.436	m3/kmol	NIST
Zc	0.2540500		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.00; 313.27]	J/mol×K	[378.77; 557.09]
T(K) Ideal gas heat capacity (J/mol×K) 240 260 280 300 320 400 450 500 550
Cp,gas	233.00	J/mol×K	378.77	Joback Calculated Property
Cp,gas	248.05	J/mol×K	408.49	Joback Calculated Property
Cp,gas	262.39	J/mol×K	438.21	Joback Calculated Property
Cp,gas	276.06	J/mol×K	467.93	Joback Calculated Property
Cp,gas	289.08	J/mol×K	497.65	Joback Calculated Property
Cp,gas	301.48	J/mol×K	527.37	Joback Calculated Property
Cp,gas	313.27	J/mol×K	557.09	Joback Calculated Property
η	[0.0002691; 0.0236666]	Pa×s	[167.34; 378.77]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-3 0.01 0.02 0.02 0.03 200 250 300 350
η	0.0236666	Pa×s	167.34	Joback Calculated Property
η	0.0058649	Pa×s	202.58	Joback Calculated Property
η	0.0021975	Pa×s	237.82	Joback Calculated Property
η	0.0010608	Pa×s	273.06	Joback Calculated Property
η	0.0006049	Pa×s	308.29	Joback Calculated Property
η	0.0003870	Pa×s	343.53	Joback Calculated Property
η	0.0002691	Pa×s	378.77	Joback Calculated Property
ΔvapH	[31.94; 32.01]	kJ/mol	[383.00; 383.30]
ΔvapH	31.94	kJ/mol	383.00	NIST
ΔvapH	32.01	kJ/mol	383.30	KDB
n0	1.40066		298.15	KDB
ρl	716.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[276.16; 409.80]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41543e+01
Coefficient B			-3.26180e+03
Coefficient C			-4.09360e+01
Temperature range, min.			276.16
Temperature range, max.			409.80
T(K) Vapor pressure (kPa) 0 50 100 150 200 300 350 400
Pvap	1.33	kPa	276.16	Calculated Property
Pvap	3.04	kPa	291.01	Calculated Property
Pvap	6.31	kPa	305.86	Calculated Property
Pvap	12.13	kPa	320.71	Calculated Property
Pvap	21.82	kPa	335.56	Calculated Property
Pvap	37.12	kPa	350.40	Calculated Property
Pvap	60.15	kPa	365.25	Calculated Property
Pvap	93.42	kPa	380.10	Calculated Property
Pvap	139.84	kPa	394.95	Calculated Property
Pvap	202.64	kPa	409.80	Calculated Property
Pvap	[2.17e-06; 2721.99]	kPa	[160.89; 563.50]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.10435e+01
Coefficient B			-7.04729e+03
Coefficient C			-9.93298e+00
Coefficient D			7.20904e-06
Temperature range, min.			160.89
Temperature range, max.			563.50
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 200 300 400 500
Pvap	2.17e-06	kPa	160.89	Calculated Property
Pvap	2.94e-03	kPa	205.62	Calculated Property
Pvap	0.22	kPa	250.36	Calculated Property
Pvap	3.66	kPa	295.09	Calculated Property
Pvap	25.65	kPa	339.83	Calculated Property
Pvap	105.84	kPa	384.56	Calculated Property
Pvap	311.36	kPa	429.30	Calculated Property
Pvap	732.78	kPa	474.03	Calculated Property
Pvap	1485.13	kPa	518.77	Calculated Property
Pvap	2721.99	kPa	563.50	Calculated Property

Similar Compounds

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

Sources

• KDB Pure (Korean Thermophysical Properties Databank)
• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• 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.