Chemical Properties of Pentane, 3-ethyl- (CAS 617-78-7)

InChI

InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3

InChI Key

AORMDLNPRGXHHL-UHFFFAOYSA-N

Formula

C7H16

SMILES

CCC(CC)CC

Molecular Weight¹

100.20

CAS

617-78-7

Other Names

• 3-Ethylpentane

• 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	0.3100		KDB
AP	338.850	K	KDB
ΔcH°liquid	[-4816.30; -4814.00]	kJ/mol
ΔcH°liquid	-4816.30 ± 1.10	kJ/mol	NIST
ΔcH°liquid	-4814.00 ± 1.30	kJ/mol	NIST
μ	0.00	debye	KDB
ΔfG°	11.00	kJ/mol	KDB
Δc,grossH	4816.33	kJ/mol	KDB
Δc,netH	4464.203	kJ/mol	KDB
ΔfH°gas	[-191.40; -189.70]	kJ/mol
ΔfH°gas	-189.80	kJ/mol	KDB
ΔfH°gas	-189.70 ± 1.20	kJ/mol	NIST
ΔfH°gas	-191.40	kJ/mol	NIST
ΔfH°liquid	[-226.70; -225.00]	kJ/mol
ΔfH°liquid	-225.00 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-226.70 ± 1.30	kJ/mol	NIST
ΔfusH°	10.36	kJ/mol	Joback Calculated Property
ΔvapH°	[35.10; 35.32]	kJ/mol
ΔvapH°	35.32	kJ/mol	NIST
ΔvapH°	35.10 ± 0.10	kJ/mol	NIST
ΔvapH°	35.20	kJ/mol	NIST
ΔvapH°	35.20 ± 0.10	kJ/mol	NIST
ΔvapH°	35.22	kJ/mol	NIST
log10WS	-2.51		Crippen Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	109.490	ml/mol	McGowan Calculated Property
Pc	[2890.00; 2897.90]	kPa
Pc	2890.00	kPa	KDB
Pc	2890.00 ± 40.00	kPa	NIST
Pc	2890.80 ± 40.53	kPa	NIST
Pc	2897.90 ± 50.66	kPa	NIST
ρc	[241.49; 241.49]	kg/m3
ρc	241.49 ± 4.01	kg/m3	NIST
ρc	241.49 ± 5.01	kg/m3	NIST
Inp	[679.00; 692.00]
Inp	687.00		NIST
Inp	683.00		NIST
Inp	687.30		NIST
Inp	685.00		NIST
Inp	687.00		NIST
Inp	687.40		NIST
Inp	687.40		NIST
Inp	687.40		NIST
Inp	687.90		NIST
Inp	686.40		NIST
Inp	687.50		NIST
Inp	686.00		NIST
Inp	687.10		NIST
Inp	685.40		NIST
Inp	686.40		NIST
Inp	686.00		NIST
Inp	687.00		NIST
Inp	687.00		NIST
Inp	685.50		NIST
Inp	686.10		NIST
Inp	686.60		NIST
Inp	687.20		NIST
Inp	687.00		NIST
Inp	687.40		NIST
Inp	686.00		NIST
Inp	686.00		NIST
Inp	686.00		NIST
Inp	Outlier 679.00		NIST
Inp	686.20		NIST
Inp	686.40		NIST
Inp	686.00		NIST
Inp	686.00		NIST
Inp	688.00		NIST
Inp	688.00		NIST
Inp	688.00		NIST
Inp	687.00		NIST
Inp	683.50		NIST
Inp	683.50		NIST
Inp	686.00		NIST
Inp	687.00		NIST
Inp	688.00		NIST
Inp	684.00		NIST
Inp	685.00		NIST
Inp	685.00		NIST
Inp	686.00		NIST
Inp	687.00		NIST
Inp	686.30		NIST
Inp	Outlier 691.00		NIST
Inp	689.00		NIST
Inp	688.00		NIST
Inp	685.00		NIST
Inp	688.00		NIST
Inp	686.00		NIST
Inp	685.00		NIST
Inp	686.00		NIST
Inp	687.00		NIST
Inp	688.00		NIST
Inp	684.50		NIST
Inp	686.00		NIST
Inp	685.00		NIST
Inp	686.00		NIST
Inp	687.00		NIST
Inp	689.00		NIST
Inp	684.00		NIST
Inp	685.00		NIST
Inp	685.00		NIST
Inp	687.00		NIST
Inp	686.00		NIST
Inp	687.00		NIST
Inp	688.00		NIST
Inp	684.00		NIST
Inp	682.00		NIST
Inp	685.00		NIST
Inp	685.90		NIST
Inp	684.70		NIST
Inp	Outlier 679.79		NIST
Inp	Outlier 680.52		NIST
Inp	683.00		NIST
Inp	682.17		NIST
Inp	682.20		NIST
Inp	683.00		NIST
Inp	683.00		NIST
Inp	683.88		NIST
Inp	684.72		NIST
Inp	685.24		NIST
Inp	684.11		NIST
Inp	684.98		NIST
Inp	685.47		NIST
Inp	682.00		NIST
Inp	683.00		NIST
Inp	686.00		NIST
Inp	686.00		NIST
Inp	687.00		NIST
Inp	689.00		NIST
Inp	687.00		NIST
Inp	683.00		NIST
Inp	687.00		NIST
Inp	Outlier 681.00		NIST
Inp	686.00		NIST
Inp	683.00		NIST
Inp	683.00		NIST
Inp	688.00		NIST
Inp	686.00		NIST
Inp	687.00		NIST
Inp	687.00		NIST
Inp	683.00		NIST
Inp	687.00		NIST
Inp	685.00		NIST
Inp	687.00		NIST
Inp	682.00		NIST
Inp	683.00		NIST
Inp	687.00		NIST
Inp	682.00		NIST
Inp	Outlier 692.00		NIST
Inp	Outlier 691.00		NIST
Inp	Outlier 692.00		NIST
Inp	Outlier 691.00		NIST
Inp	688.00		NIST
Inp	687.00		NIST
Inp	Outlier 691.00		NIST
Inp	686.00		NIST
Inp	683.00		NIST
Inp	684.70		NIST
Inp	682.20		NIST
Inp	685.24		NIST
S°gas	411.50	J/mol×K	NIST
S°liquid	[312.10; 314.55]	J/mol×K
S°liquid	314.55	J/mol×K	NIST
S°liquid	312.10	J/mol×K	NIST
Tboil	[366.40; 366.70]	K
Tboil	366.60	K	KDB
Tboil	366.70	K	NIST
Tboil	366.60	K	NIST
Tboil	366.40 ± 1.50	K	NIST
Tboil	366.63 ± 0.30	K	NIST
Tboil	366.40 ± 0.50	K	NIST
Tboil	366.60 ± 0.20	K	NIST
Tboil	366.47 ± 0.30	K	NIST
Tboil	366.62 ± 0.07	K	NIST
Tboil	366.65 ± 0.50	K	NIST
Tboil	366.57 ± 0.20	K	NIST
Tboil	366.62 ± 0.20	K	NIST
Tboil	366.70 ± 0.15	K	NIST
Tboil	366.60 ± 0.20	K	NIST
Tboil	366.70 ± 0.20	K	NIST
Tboil	366.62 ± 0.07	K	NIST
Tboil	366.70 ± 0.20	K	NIST
Tboil	366.60 ± 0.20	K	NIST
Tboil	366.52 ± 0.20	K	NIST
Tboil	366.61 ± 0.07	K	NIST
Tboil	366.62 ± 0.03	K	NIST
Tboil	366.52 ± 0.30	K	NIST
Tboil	366.45 ± 0.50	K	NIST
Tboil	366.45 ± 0.50	K	NIST
Tboil	366.45 ± 0.50	K	NIST
Tc	[540.57; 540.75]	K
Tc	540.60	K	KDB
Tc	540.60 ± 0.40	K	NIST
Tc	540.57 ± 0.40	K	NIST
Tc	540.75 ± 0.50	K	NIST
Tfus	[154.25; 154.55]	K
Tfus	154.50	K	KDB
Tfus	154.39 ± 0.30	K	NIST
Tfus	154.53 ± 0.03	K	NIST
Tfus	154.54 ± 0.02	K	NIST
Tfus	154.55 ± 0.01	K	NIST
Tfus	154.25 ± 0.20	K	NIST
Tfus	154.50 ± 0.06	K	NIST
Tfus	154.35 ± 0.50	K	NIST
Tfus	154.35 ± 0.30	K	NIST
Ttriple	[154.30; 154.59]	K
Ttriple	154.58 ± 0.08	K	NIST
Ttriple	154.58 ± 0.06	K	NIST
Ttriple	154.58 ± 0.03	K	NIST
Ttriple	154.58 ± 0.02	K	NIST
Ttriple	154.59 ± 0.03	K	NIST
Ttriple	154.59 ± 0.02	K	NIST
Ttriple	Outlier 154.30 ± 0.20	K	NIST
Vc	[0.416; 0.416]	m3/kmol
Vc	0.416	m3/kmol	KDB
Vc	0.416	m3/kmol	NIST
Zc	0.2674720		KDB
Zra	0.27		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.02; 260.72]	J/mol×K	[359.12; 526.54]
Cp,gas	194.02	J/mol×K	359.12	Joback Calculated Property
Cp,gas	206.19	J/mol×K	387.02	Joback Calculated Property
Cp,gas	217.92	J/mol×K	414.93	Joback Calculated Property
Cp,gas	229.23	J/mol×K	442.83	Joback Calculated Property
Cp,gas	240.13	J/mol×K	470.73	Joback Calculated Property
Cp,gas	250.62	J/mol×K	498.63	Joback Calculated Property
Cp,gas	260.72	J/mol×K	526.54	Joback Calculated Property
Cp,liquid	[217.60; 219.58]	J/mol×K	[294.80; 298.15]
Cp,liquid	217.60	J/mol×K	294.80	NIST
Cp,liquid	219.58	J/mol×K	298.15	NIST
η	[0.0002348; 0.0099972]	Pa×s	[153.65; 359.12]
η	0.0099972	Pa×s	153.65	Joback Calculated Property
η	0.0030264	Pa×s	187.90	Joback Calculated Property
η	0.0013243	Pa×s	222.14	Joback Calculated Property
η	0.0007226	Pa×s	256.38	Joback Calculated Property
η	0.0004548	Pa×s	290.63	Joback Calculated Property
η	0.0003156	Pa×s	324.88	Joback Calculated Property
η	0.0002348	Pa×s	359.12	Joback Calculated Property
ΔfusH	[9.46; 9.55]	kJ/mol	[154.30; 154.60]
ΔfusH	9.46	kJ/mol	154.30	NIST
ΔfusH	9.55	kJ/mol	154.58	NIST
ΔfusH	9.55	kJ/mol	154.60	NIST
ΔfusH	9.55	kJ/mol	154.60	NIST
ΔvapH	[30.96; 35.20]	kJ/mol	[232.00; 366.60]
ΔvapH	33.70 ± 0.10	kJ/mol	232.00	NIST
ΔvapH	34.50 ± 0.10	kJ/mol	308.00	NIST
ΔvapH	34.10 ± 0.10	kJ/mol	315.00	NIST
ΔvapH	35.20	kJ/mol	329.50	NIST
ΔvapH	33.30 ± 0.10	kJ/mol	330.00	NIST
ΔvapH	35.00	kJ/mol	330.50	NIST
ΔvapH	32.70 ± 0.10	kJ/mol	338.00	NIST
ΔvapH	32.20 ± 0.10	kJ/mol	348.00	NIST
ΔvapH	34.40	kJ/mol	349.50	NIST
ΔvapH	30.96	kJ/mol	366.60	KDB
ΔvapH	31.12	kJ/mol	366.60	NIST
n0	1.39084		298.15	KDB
ρl	698.00	kg/m3	293.00	KDB
ΔfusS	[61.31; 61.77]	J/mol×K	[154.30; 154.58]
ΔfusS	61.31	J/mol×K	154.30	NIST
ΔfusS	61.77	J/mol×K	154.58	NIST
γ	0.02	N/m	298.20	KDB
λ	[0.10; 0.13]	W/m×K	[257.28; 331.56]
λ	0.13	W/m×K	257.28	Thermal...
λ	0.13	W/m×K	257.54	Thermal...
λ	0.13	W/m×K	257.83	Thermal...
λ	0.12	W/m×K	277.62	Thermal...
λ	0.12	W/m×K	277.89	Thermal...
λ	0.12	W/m×K	278.19	Thermal...
λ	0.11	W/m×K	296.33	Thermal...
λ	0.11	W/m×K	296.62	Thermal...
λ	0.11	W/m×K	296.78	Thermal...
λ	0.11	W/m×K	313.96	Thermal...
λ	0.11	W/m×K	314.27	Thermal...
λ	0.11	W/m×K	314.58	Thermal...
λ	0.10	W/m×K	331.22	Thermal...
λ	0.10	W/m×K	331.29	Thermal...
λ	0.10	W/m×K	331.56	Thermal...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[264.53; 392.04]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43548e+01
Coefficient B			-3.22861e+03
Coefficient C			-3.50210e+01
Temperature range, min.			264.53
Temperature range, max.			392.04
Pvap	1.33	kPa	264.53	Calculated Property
Pvap	3.02	kPa	278.70	Calculated Property
Pvap	6.25	kPa	292.87	Calculated Property
Pvap	12.01	kPa	307.03	Calculated Property
Pvap	21.61	kPa	321.20	Calculated Property
Pvap	36.79	kPa	335.37	Calculated Property
Pvap	59.71	kPa	349.54	Calculated Property
Pvap	92.94	kPa	363.70	Calculated Property
Pvap	139.47	kPa	377.87	Calculated Property
Pvap	202.67	kPa	392.04	Calculated Property
Pvap	[3.09e-06; 2826.97]	kPa	[154.55; 540.64]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.25346e+01
Coefficient B			-6.12547e+03
Coefficient C			-7.08145e+00
Coefficient D			4.46212e-06
Temperature range, min.			154.55
Temperature range, max.			540.64
Pvap	3.09e-06	kPa	154.55	Calculated Property
Pvap	3.20e-03	kPa	197.45	Calculated Property
Pvap	0.22	kPa	240.35	Calculated Property
Pvap	3.61	kPa	283.25	Calculated Property
Pvap	25.66	kPa	326.15	Calculated Property
Pvap	108.44	kPa	369.04	Calculated Property
Pvap	325.54	kPa	411.94	Calculated Property
Pvap	774.60	kPa	454.84	Calculated Property
Pvap	1567.35	kPa	497.74	Calculated Property
Pvap	2826.97	kPa	540.64	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
• 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.