Chemical Properties of Pentane, 3,3-dimethyl- (CAS 562-49-2)

InChI

InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3

InChI Key

AEXMKKGTQYQZCS-UHFFFAOYSA-N

Formula

C7H16

SMILES

CCC(C)(C)CC

Molecular Weight¹

100.20

CAS

562-49-2

Other Names

• (C2H5)2C(CH3)2
• 3,3-Dimethylpentane

• 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).
• μ : Dipole Moment (debye).
• 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.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2670		KDB
AP	343.650	K	KDB
ΔcH°liquid	[-4806.70; -4802.00]	kJ/mol
ΔcH°liquid	-4806.70 ± 0.79	kJ/mol	NIST
ΔcH°liquid	-4802.00 ± 1.00	kJ/mol	NIST
μ	0.00	debye	KDB
ΔfG°	2.64	kJ/mol	KDB
Δc,grossH	4806.70	kJ/mol	KDB
Δc,netH	4454.580	kJ/mol	KDB
ΔfH°gas	[-205.90; -201.50]	kJ/mol
ΔfH°gas	-201.70	kJ/mol	KDB
ΔfH°gas	-201.50 ± 0.92	kJ/mol	NIST
ΔfH°gas	-205.90	kJ/mol	NIST
ΔfH°liquid	[-239.00; -234.60]	kJ/mol
ΔfH°liquid	-234.60 ± 0.92	kJ/mol	NIST
ΔfH°liquid	-239.00 ± 1.00	kJ/mol	NIST
ΔfusH°	6.47	kJ/mol	Joback Calculated Property
ΔvapH°	[33.00; 33.15]	kJ/mol
ΔvapH°	33.15	kJ/mol	NIST
ΔvapH°	33.00 ± 0.10	kJ/mol	NIST
ΔvapH°	33.00	kJ/mol	NIST
ΔvapH°	33.00 ± 0.10	kJ/mol	NIST
ΔvapH°	33.02	kJ/mol	NIST
log10WS	[-4.23; -4.23]
log10WS	-4.23		Aq. Sol...
log10WS	-4.23		Estimat...
logPoct/wat	2.833		Crippen Calculated Property
McVol	109.490	ml/mol	McGowan Calculated Property
Pc	[2945.80; 2950.00]	kPa
Pc	2950.00	kPa	KDB
Pc	2950.00 ± 50.00	kPa	NIST
Pc	2945.80 ± 40.53	kPa	NIST
ρc	[242.49; 242.49]	kg/m3
ρc	242.49 ± 5.01	kg/m3	NIST
ρc	242.49 ± 5.01	kg/m3	NIST
Inp	[643.00; 669.00]
Inp	653.10		NIST
Inp	656.30		NIST
Inp	660.00		NIST
Inp	649.00		NIST
Inp	662.80		NIST
Inp	658.00		NIST
Inp	656.00		NIST
Inp	658.10		NIST
Inp	658.00		NIST
Inp	658.10		NIST
Inp	658.00		NIST
Inp	657.90		NIST
Inp	656.20		NIST
Inp	659.00		NIST
Inp	658.90		NIST
Inp	661.50		NIST
Inp	658.50		NIST
Inp	661.20		NIST
Inp	654.70		NIST
Inp	656.10		NIST
Inp	657.60		NIST
Inp	659.20		NIST
Inp	654.00		NIST
Inp	656.00		NIST
Inp	657.00		NIST
Inp	658.00		NIST
Inp	659.00		NIST
Inp	661.00		NIST
Inp	654.60		NIST
Inp	655.90		NIST
Inp	657.30		NIST
Inp	658.70		NIST
Inp	660.30		NIST
Inp	661.90		NIST
Inp	658.10		NIST
Inp	658.10		NIST
Inp	656.00		NIST
Inp	656.00		NIST
Inp	658.00		NIST
Inp	658.00		NIST
Inp	656.00		NIST
Inp	655.00		NIST
Inp	656.50		NIST
Inp	658.00		NIST
Inp	659.70		NIST
Inp	661.40		NIST
Inp	663.40		NIST
Inp	657.00		NIST
Inp	657.60		NIST
Inp	657.90		NIST
Inp	658.30		NIST
Inp	658.80		NIST
Inp	659.30		NIST
Inp	661.00		NIST
Inp	662.00		NIST
Inp	662.00		NIST
Inp	663.00		NIST
Inp	657.00		NIST
Inp	660.00		NIST
Inp	Outlier 643.00		NIST
Inp	659.00		NIST
Inp	662.00		NIST
Inp	664.21		NIST
Inp	665.95		NIST
Inp	Outlier 667.80		NIST
Inp	660.59		NIST
Inp	662.46		NIST
Inp	654.00		NIST
Inp	656.00		NIST
Inp	657.00		NIST
Inp	658.00		NIST
Inp	660.00		NIST
Inp	659.10		NIST
Inp	660.00		NIST
Inp	656.00		NIST
Inp	662.00		NIST
Inp	658.00		NIST
Inp	656.00		NIST
Inp	659.00		NIST
Inp	661.00		NIST
Inp	664.00		NIST
Inp	656.00		NIST
Inp	659.00		NIST
Inp	662.00		NIST
Inp	656.00		NIST
Inp	657.00		NIST
Inp	660.00		NIST
Inp	661.00		NIST
Inp	656.00		NIST
Inp	Outlier 646.00		NIST
Inp	657.00		NIST
Inp	654.25		NIST
Inp	651.90		NIST
Inp	Outlier 643.69		NIST
Inp	Outlier 644.47		NIST
Inp	651.50		NIST
Inp	650.50		NIST
Inp	647.31		NIST
Inp	647.32		NIST
Inp	648.00		NIST
Inp	Outlier 646.00		NIST
Inp	650.00		NIST
Inp	651.00		NIST
Inp	659.00		NIST
Inp	656.00		NIST
Inp	659.00		NIST
Inp	666.00		NIST
Inp	662.00		NIST
Inp	653.00		NIST
Inp	661.00		NIST
Inp	652.00		NIST
Inp	653.00		NIST
Inp	647.00		NIST
Inp	664.00		NIST
Inp	660.00		NIST
Inp	660.00		NIST
Inp	650.00		NIST
Inp	659.00		NIST
Inp	653.00		NIST
Inp	659.00		NIST
Inp	647.00		NIST
Inp	649.00		NIST
Inp	654.00		NIST
Inp	Outlier 646.00		NIST
Inp	657.00		NIST
Inp	658.00		NIST
Inp	653.00		NIST
Inp	Outlier 669.00		NIST
Inp	Outlier 669.00		NIST
Inp	654.25		NIST
Inp	Outlier 646.00		NIST
Inp	651.00		NIST
Inp	662.00		NIST
Inp	650.00		NIST
Inp	664.00		NIST
Inp	653.00		NIST
Inp	Outlier 669.00		NIST
S°gas	398.02	J/mol×K	NIST
S°liquid	[293.30; 305.60]	J/mol×K
S°liquid	305.60	J/mol×K	NIST
S°liquid	293.30	J/mol×K	NIST
Tboil	[358.95; 363.15]	K
Tboil	359.21	K	KDB
Tboil	359.30	K	NIST
Tboil	359.20	K	NIST
Tboil	359.15 ± 0.40	K	NIST
Tboil	359.21 ± 0.20	K	NIST
Tboil	359.22 ± 0.20	K	NIST
Tboil	359.20 ± 0.20	K	NIST
Tboil	359.20 ± 0.20	K	NIST
Tboil	359.20 ± 0.30	K	NIST
Tboil	359.20 ± 0.20	K	NIST
Tboil	359.21 ± 0.10	K	NIST
Tboil	359.25 ± 0.50	K	NIST
Tboil	358.95 ± 0.40	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.20 ± 0.20	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.21 ± 0.01	K	NIST
Tboil	359.24 ± 0.20	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	Outlier 363.05 ± 0.50	K	NIST
Tboil	Outlier 363.15 ± 0.50	K	NIST
Tboil	359.23 ± 0.30	K	NIST
Tboil	359.21 ± 0.06	K	NIST
Tboil	359.00 ± 0.30	K	NIST
Tboil	359.12 ± 0.10	K	NIST
Tboil	359.00 ± 0.50	K	NIST
Tboil	359.25 ± 0.50	K	NIST
Tboil	359.25 ± 0.20	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.15 ± 0.50	K	NIST
Tboil	359.25 ± 0.20	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.10 ± 0.50	K	NIST
Tboil	359.15 ± 0.50	K	NIST
Tboil	359.15 ± 0.50	K	NIST
Tboil	359.40 ± 0.60	K	NIST
Tboil	359.70 ± 2.00	K	NIST
Tboil	360.00 ± 3.00	K	NIST
Tc	[536.30; 536.40]	K
Tc	536.40	K	KDB
Tc	536.40 ± 0.50	K	NIST
Tc	536.30	K	NIST
Tc	536.34 ± 0.40	K	NIST
Tfus	[137.24; 138.71]	K
Tfus	138.20	K	KDB
Tfus	138.52	K	Aq. Sol...
Tfus	138.34 ± 0.30	K	NIST
Tfus	137.54 ± 0.50	K	NIST
Tfus	138.70 ± 0.05	K	NIST
Tfus	138.70 ± 0.05	K	NIST
Tfus	138.71 ± 0.05	K	NIST
Tfus	138.17 ± 0.30	K	NIST
Tfus	138.17 ± 0.20	K	NIST
Tfus	137.60 ± 0.40	K	NIST
Tfus	138.16 ± 0.01	K	NIST
Tfus	138.64 ± 0.06	K	NIST
Tfus	138.64 ± 0.05	K	NIST
Tfus	138.69 ± 0.04	K	NIST
Tfus	138.20 ± 0.05	K	NIST
Tfus	137.59 ± 0.05	K	NIST
Tfus	138.12 ± 0.50	K	NIST
Tfus	137.50 ± 0.30	K	NIST
Tfus	137.55 ± 0.70	K	NIST
Tfus	137.24 ± 0.40	K	NIST
Tfus	137.41 ± 0.20	K	NIST
Tfus	137.45 ± 0.30	K	NIST
Tfus	137.45 ± 0.50	K	NIST
Tfus	138.15 ± 0.50	K	NIST
Tfus	138.25 ± 0.50	K	NIST
Tfus	138.15 ± 0.50	K	NIST
Tfus	138.15 ± 0.30	K	NIST
Ttriple	[138.20; 138.75]	K
Ttriple	138.75 ± 0.10	K	NIST
Ttriple	138.20 ± 0.03	K	NIST
Ttriple	138.20 ± 0.20	K	NIST
Vc	[0.414; 0.414]	m3/kmol
Vc	0.414	m3/kmol	KDB
Vc	0.414	m3/kmol	NIST
Zc	0.2738400		KDB
Zra	0.27		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[187.44; 250.70]	J/mol×K	[344.13; 487.21]
Cp,gas	187.44 ± 0.37	J/mol×K	344.13	NIST
Cp,gas	197.68 ± 0.40	J/mol×K	366.22	NIST
Cp,gas	214.51 ± 0.43	J/mol×K	402.31	NIST
Cp,gas	235.08 ± 0.47	J/mol×K	449.30	NIST
Cp,gas	250.70 ± 0.50	J/mol×K	487.21	NIST
Cp,liquid	[211.70; 214.80]	J/mol×K	[292.90; 298.15]
Cp,liquid	211.70	J/mol×K	292.90	NIST
Cp,liquid	214.80	J/mol×K	298.15	NIST
η	[0.0002842; 0.0112423]	Pa×s	[171.07; 356.33]
η	0.0112423	Pa×s	171.07	Joback Calculated Property
η	0.0038120	Pa×s	201.95	Joback Calculated Property
η	0.0017220	Pa×s	232.82	Joback Calculated Property
η	0.0009370	Pa×s	263.70	Joback Calculated Property
η	0.0005792	Pa×s	294.58	Joback Calculated Property
η	0.0003923	Pa×s	325.45	Joback Calculated Property
η	0.0002842	Pa×s	356.33	Joback Calculated Property
ΔfusH	[7.07; 7.07]	kJ/mol	[138.20; 138.20]
ΔfusH	7.07	kJ/mol	138.20	NIST
ΔfusH	7.07	kJ/mol	138.20	NIST
ΔfusH	7.07	kJ/mol	138.20	NIST
ΔvapH	[29.62; 34.80]	kJ/mol	[247.00; 359.20]
ΔvapH	34.80	kJ/mol	247.00	NIST
ΔvapH	33.60	kJ/mol	320.00	NIST
ΔvapH	33.30	kJ/mol	322.50	NIST
ΔvapH	33.20	kJ/mol	323.50	NIST
ΔvapH	29.65	kJ/mol	359.20	KDB
ΔvapH	29.62	kJ/mol	359.20	NIST
n0	1.38842		298.15	KDB
ρl	693.00	kg/m3	293.00	KDB
ΔfusS	51.14	J/mol×K	138.20	NIST
γ	0.02	N/m	298.20	KDB
λ	[0.09; 0.11]	W/m×K	[256.11; 334.37]
λ	0.11	W/m×K	256.11	Thermal...
λ	0.11	W/m×K	256.71	Thermal...
λ	0.11	W/m×K	257.04	Thermal...
λ	0.11	W/m×K	276.17	Thermal...
λ	0.11	W/m×K	276.50	Thermal...
λ	0.11	W/m×K	276.78	Thermal...
λ	0.10	W/m×K	296.01	Thermal...
λ	0.10	W/m×K	296.03	Thermal...
λ	0.10	W/m×K	296.39	Thermal...
λ	0.10	W/m×K	296.63	Thermal...
λ	0.10	W/m×K	316.38	Thermal...
λ	0.09	W/m×K	316.67	Thermal...
λ	0.09	W/m×K	316.93	Thermal...
λ	0.09	W/m×K	333.75	Thermal...
λ	0.09	W/m×K	334.10	Thermal...
λ	0.09	W/m×K	334.37	Thermal...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[257.53; 384.68]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42009e+01
Coefficient B			-3.13031e+03
Coefficient C			-3.25430e+01
Temperature range, min.			257.53
Temperature range, max.			384.68
Pvap	1.33	kPa	257.53	Calculated Property
Pvap	3.03	kPa	271.66	Calculated Property
Pvap	6.30	kPa	285.79	Calculated Property
Pvap	12.10	kPa	299.91	Calculated Property
Pvap	21.77	kPa	314.04	Calculated Property
Pvap	37.05	kPa	328.17	Calculated Property
Pvap	60.05	kPa	342.30	Calculated Property
Pvap	93.31	kPa	356.42	Calculated Property
Pvap	139.75	kPa	370.55	Calculated Property
Pvap	202.64	kPa	384.68	Calculated Property
Pvap	[2.29e-07; 2919.02]	kPa	[138.70; 536.40]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.78524e+01
Coefficient B			-6.06498e+03
Coefficient C			-8.01550e+00
Coefficient D			6.29022e-06
Temperature range, min.			138.70
Temperature range, max.			536.40
Pvap	2.29e-07	kPa	138.70	Calculated Property
Pvap	1.06e-03	kPa	182.89	Calculated Property
Pvap	0.13	kPa	227.08	Calculated Property
Pvap	2.85	kPa	271.27	Calculated Property
Pvap	22.90	kPa	315.46	Calculated Property
Pvap	102.52	kPa	359.64	Calculated Property
Pvap	316.93	kPa	403.83	Calculated Property
Pvap	768.49	kPa	448.02	Calculated Property
Pvap	1583.06	kPa	492.21	Calculated Property
Pvap	2919.02	kPa	536.40	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 3,3-dimethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.