Chemical Properties of Pentane (CAS 109-66-0)

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI

InChI=1S/C5H12/c1-3-5-4-2/h3-5H2,1-2H3

InChI Key

OFBQJSOFQDEBGM-UHFFFAOYSA-N

Formula

C5H12

SMILES

CCCCC

Molecular Weight¹

72.15

CAS

109-66-0

Other Names

• Amyl hydride
• NSC 72415
• Pentan
• Pentanen
• Pentani
• Skellysolve A
• n-C5H12
• n-Pentane

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• Δ_cH°_gas: Standard gas enthalpy of combustion (kJ/mol).
• 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_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_subH: Enthalpy of sublimation 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).
• IE: Ionization energy (eV).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• 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).
• Δ_vapS: Entropy of vaporization at a given temperature (J/mol×K).
• T_boil: Normal Boiling Point Temperature (K).
• T_c: Critical Temperature (K).
• T_fus: Normal melting (fusion) point (K).
• T_triple: Triple Point Temperature (K).
• V_c: Critical Volume (m³/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°gas	-3535.40 ± 0.96	kJ/mol	NIST
ΔcH°gas	-3536.60 ± 0.88	kJ/mol	NIST
ΔcH°liquid	-3509.00 ± 0.46	kJ/mol	NIST
ΔcH°liquid	-3509.50 ± 0.59	kJ/mol	NIST
ΔcH°liquid	-3509.20 ± 0.75	kJ/mol	NIST
ΔfG°	-8.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-146.80 ± 0.59	kJ/mol	NIST
ΔfH°gas	-147.10 ± 1.00	kJ/mol	NIST
ΔfH°gas	-146.40 ± 0.67	kJ/mol	NIST
ΔfH°liquid	-173.50 ± 0.59	kJ/mol	NIST
ΔfH°liquid	-173.10 ± 0.67	kJ/mol	NIST
ΔfusH°	8.71	kJ/mol	Joback Calculated Property
ΔvapH°	[26.20; 27.40]	kJ/mol
ΔvapH°	26.75	kJ/mol	NIST
ΔvapH°	26.20	kJ/mol	NIST
ΔvapH°	26.40	kJ/mol	NIST
ΔvapH°	26.60 ± 0.10	kJ/mol	NIST
ΔvapH°	26.40	kJ/mol	NIST
ΔvapH°	26.40	kJ/mol	NIST
ΔvapH°	26.70 ± 0.40	kJ/mol	NIST
ΔvapH°	26.40	kJ/mol	NIST
ΔvapH°	26.42	kJ/mol	NIST
ΔvapH°	Outlier 27.40	kJ/mol	NIST
ΔvapH°	26.20	kJ/mol	NIST
IE	[10.18; 10.93]	eV
IE	10.28 ± 0.10	eV	NIST
IE	10.37	eV	NIST
IE	10.43	eV	NIST
IE	10.22 ± 0.05	eV	NIST
IE	10.28 ± 0.10	eV	NIST
IE	10.18 ± 0.15	eV	NIST
IE	Outlier 10.93	eV	NIST
IE	10.20 ± 0.10	eV	NIST
IE	10.50	eV	NIST
IE	10.36	eV	NIST
IE	10.59 ± 0.05	eV	NIST
IE	10.37	eV	NIST
IE	10.35	eV	NIST
IE	Outlier 10.90 ± 0.10	eV	NIST
logPoct/wat	2.197		Crippen Calculated Property
Pc	[3268.00; 3406.01]	kPa
Pc	3370.00 ± 20.00	kPa	NIST
Pc	3369.00 ± 20.00	kPa	NIST
Pc	3360.00 ± 40.00	kPa	NIST
Pc	3330.00 ± 50.00	kPa	NIST
Pc	3370.00 ± 30.00	kPa	NIST
Pc	3360.00 ± 10.00	kPa	NIST
Pc	3360.00 ± 20.00	kPa	NIST
Pc	3369.00 ± 20.00	kPa	NIST
Pc	3369.00	kPa	NIST
Pc	3382.00 ± 5.00	kPa	NIST
Pc	3363.80 ± 0.33	kPa	NIST
Pc	3364.00	kPa	NIST
Pc	3380.00 ± 20.00	kPa	NIST
Pc	3378.00 ± 3.37	kPa	NIST
Pc	Outlier 3268.00 ± 101.33	kPa	NIST
Pc	3376.35 ± 20.68	kPa	NIST
Pc	3375.14 ± 6.07	kPa	NIST
Pc	3406.01 ± 20.68	kPa	NIST
Pc	3346.40 ± 66.70	kPa	NIST
Pc	Outlier 3270.00 ± 196.13	kPa	NIST
S°gas	347.82 ± 0.84	J/mol×K	NIST
S°liquid	263.47	J/mol×K	NIST
S°liquid	262.67	J/mol×K	NIST
S°liquid	259.40	J/mol×K	NIST
Tboil	[301.00; 311.15]	K
Tboil	309.30	K	NIST
Tboil	309.20	K	NIST
Tboil	309.29 ± 0.20	K	NIST
Tboil	309.15 ± 0.30	K	NIST
Tboil	309.20 ± 0.07	K	NIST
Tboil	308.40 ± 2.00	K	NIST
Tboil	309.22 ± 0.10	K	NIST
Tboil	309.19 ± 0.10	K	NIST
Tboil	309.10 ± 0.20	K	NIST
Tboil	309.25 ± 0.50	K	NIST
Tboil	309.20 ± 0.10	K	NIST
Tboil	309.15 ± 0.20	K	NIST
Tboil	309.10 ± 0.20	K	NIST
Tboil	309.30 ± 0.30	K	NIST
Tboil	309.06 ± 0.30	K	NIST
Tboil	309.30 ± 0.20	K	NIST
Tboil	309.35 ± 0.20	K	NIST
Tboil	309.25 ± 0.30	K	NIST
Tboil	310.25 ± 2.00	K	NIST
Tboil	309.15 ± 1.00	K	NIST
Tboil	309.22 ± 0.20	K	NIST
Tboil	309.30 ± 0.10	K	NIST
Tboil	309.30 ± 0.20	K	NIST
Tboil	309.15 ± 0.50	K	NIST
Tboil	309.25 ± 0.30	K	NIST
Tboil	309.10 ± 0.10	K	NIST
Tboil	309.22 ± 0.05	K	NIST
Tboil	309.30 ± 0.50	K	NIST
Tboil	309.30 ± 0.30	K	NIST
Tboil	309.30 ± 0.50	K	NIST
Tboil	309.15 ± 2.00	K	NIST
Tboil	309.21 ± 0.10	K	NIST
Tboil	309.22 ± 0.01	K	NIST
Tboil	309.25 ± 1.00	K	NIST
Tboil	309.30 ± 0.10	K	NIST
Tboil	309.30 ± 0.10	K	NIST
Tboil	309.15 ± 0.50	K	NIST
Tboil	309.22 ± 0.20	K	NIST
Tboil	309.55 ± 2.00	K	NIST
Tboil	309.15 ± 0.50	K	NIST
Tboil	309.20 ± 0.20	K	NIST
Tboil	309.15 ± 0.20	K	NIST
Tboil	309.30 ± 0.20	K	NIST
Tboil	309.05 ± 0.50	K	NIST
Tboil	309.10 ± 0.20	K	NIST
Tboil	309.15 ± 0.10	K	NIST
Tboil	309.25 ± 0.50	K	NIST
Tboil	309.45 ± 0.50	K	NIST
Tboil	308.65 ± 1.00	K	NIST
Tboil	309.15 ± 0.50	K	NIST
Tboil	309.10 ± 0.15	K	NIST
Tboil	309.15 ± 0.20	K	NIST
Tboil	309.15 ± 1.00	K	NIST
Tboil	308.15 ± 2.00	K	NIST
Tboil	308.65 ± 1.00	K	NIST
Tboil	309.05 ± 0.50	K	NIST
Tboil	309.30 ± 0.10	K	NIST
Tboil	309.40 ± 0.50	K	NIST
Tboil	309.15 ± 1.00	K	NIST
Tboil	309.22 ± 0.05	K	NIST
Tboil	309.55 ± 2.00	K	NIST
Tboil	309.25 ± 0.07	K	NIST
Tboil	309.20 ± 0.50	K	NIST
Tboil	309.65 ± 1.00	K	NIST
Tboil	309.35 ± 0.50	K	NIST
Tboil	309.21 ± 0.07	K	NIST
Tboil	309.05 ± 0.50	K	NIST
Tboil	309.15 ± 1.00	K	NIST
Tboil	309.30 ± 0.30	K	NIST
Tboil	309.15 ± 0.10	K	NIST
Tboil	309.30 ± 0.20	K	NIST
Tboil	308.95 ± 1.00	K	NIST
Tboil	309.00 ± 1.00	K	NIST
Tboil	309.00 ± 1.00	K	NIST
Tboil	309.35 ± 0.30	K	NIST
Tboil	310.15 ± 0.60	K	NIST
Tboil	309.16 ± 0.20	K	NIST
Tboil	310.15 ± 0.50	K	NIST
Tboil	309.30 ± 0.50	K	NIST
Tboil	309.30 ± 0.20	K	NIST
Tboil	309.10 ± 1.00	K	NIST
Tboil	310.65 ± 2.00	K	NIST
Tboil	309.50 ± 1.00	K	NIST
Tboil	309.50 ± 0.50	K	NIST
Tboil	309.45 ± 0.50	K	NIST
Tboil	310.65 ± 1.50	K	NIST
Tboil	309.30 ± 0.30	K	NIST
Tboil	309.30 ± 0.30	K	NIST
Tboil	309.30 ± 0.30	K	NIST
Tboil	Outlier 311.15 ± 2.00	K	NIST
Tboil	310.15 ± 1.00	K	NIST
Tboil	309.45 ± 0.50	K	NIST
Tboil	Outlier 301.00 ± 2.00	K	NIST
Tboil	309.40 ± 1.00	K	NIST
Tboil	309.40 ± 1.00	K	NIST
Tc	[460.30; 470.70]	K
Tc	469.70 ± 0.20	K	NIST
Tc	469.68 ± 0.20	K	NIST
Tc	469.70 ± 0.20	K	NIST
Tc	466.50 ± 2.00	K	NIST
Tc	466.30 ± 4.00	K	NIST
Tc	469.74 ± 0.40	K	NIST
Tc	469.60 ± 1.00	K	NIST
Tc	469.70 ± 0.40	K	NIST
Tc	469.70 ± 0.30	K	NIST
Tc	469.51 ± 0.40	K	NIST
Tc	469.70	K	NIST
Tc	469.70	K	NIST
Tc	469.69 ± 0.04	K	NIST
Tc	469.69 ± 0.10	K	NIST
Tc	469.60	K	NIST
Tc	469.80 ± 0.20	K	NIST
Tc	470.40 ± 0.04	K	NIST
Tc	469.60 ± 0.20	K	NIST
Tc	469.70 ± 0.30	K	NIST
Tc	469.70 ± 0.20	K	NIST
Tc	469.70 ± 0.30	K	NIST
Tc	469.70 ± 0.30	K	NIST
Tc	469.61 ± 0.40	K	NIST
Tc	469.75 ± 0.25	K	NIST
Tc	469.49 ± 0.20	K	NIST
Tc	469.55 ± 0.10	K	NIST
Tc	470.70 ± 1.00	K	NIST
Tc	469.77 ± 0.06	K	NIST
Tc	470.37 ± 1.11	K	NIST
Tc	470.40 ± 1.00	K	NIST
Tc	Outlier 460.30 ± 10.00	K	NIST
Tfus	[75.40; 144.15]	K
Tfus	143.42 ± 0.02	K	NIST
Tfus	Outlier 75.40 ± 0.15	K	NIST
Tfus	143.15 ± 1.50	K	NIST
Tfus	144.05 ± 0.40	K	NIST
Tfus	143.42 ± 0.30	K	NIST
Tfus	143.43 ± 0.15	K	NIST
Tfus	143.40 ± 0.10	K	NIST
Tfus	143.40 ± 0.30	K	NIST
Tfus	143.41 ± 0.05	K	NIST
Tfus	143.42 ± 0.03	K	NIST
Tfus	142.65 ± 0.50	K	NIST
Tfus	143.39 ± 0.06	K	NIST
Tfus	Outlier 80.42 ± 0.04	K	NIST
Tfus	143.40 ± 0.05	K	NIST
Tfus	143.39 ± 0.02	K	NIST
Tfus	143.39 ± 0.06	K	NIST
Tfus	143.42 ± 0.03	K	NIST
Tfus	143.39 ± 0.20	K	NIST
Tfus	143.48 ± 0.30	K	NIST
Tfus	143.39 ± 0.07	K	NIST
Tfus	143.42 ± 0.05	K	NIST
Tfus	143.40 ± 0.10	K	NIST
Tfus	143.45 ± 0.20	K	NIST
Tfus	143.45 ± 0.20	K	NIST
Tfus	144.15 ± 2.00	K	NIST
Tfus	144.05 ± 0.50	K	NIST
Tfus	143.00 ± 2.00	K	NIST
Tfus	144.15 ± 0.30	K	NIST
Tfus	143.42 ± 0.05	K	NIST
Tfus	143.45 ± 0.40	K	NIST
Tfus	143.22 ± 0.08	K	NIST
Tfus	142.35 ± 0.30	K	NIST
Ttriple	[143.40; 143.48]	K
Ttriple	143.47 ± 0.03	K	NIST
Ttriple	143.45 ± 0.07	K	NIST
Ttriple	143.48 ± 0.04	K	NIST
Ttriple	143.48 ± 0.05	K	NIST
Ttriple	143.47 ± 0.07	K	NIST
Ttriple	Outlier 143.40 ± 0.30	K	NIST
Vc	[0.295; 0.315]	m3/kg-mol
Vc	0.311	m3/kg-mol	NIST
Vc	0.310 ± 0.000	m3/kg-mol	NIST
Vc	0.295 ± 0.006	m3/kg-mol	NIST
Vc	0.315 ± 0.003	m3/kg-mol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[120.07; 232.90]	J/mol×K	[298.15; 700.00]
Cp,gas	120.07 ± 0.24	J/mol×K	298.15	NIST
Cp,gas	127.84 ± 0.26	J/mol×K	323.15	NIST
Cp,gas	135.90 ± 0.27	J/mol×K	348.15	NIST
Cp,gas	143.95 ± 0.29	J/mol×K	373.15	NIST
Cp,gas	151.92 ± 0.30	J/mol×K	398.15	NIST
Cp,gas	159.67 ± 0.32	J/mol×K	423.15	NIST
Cp,gas	167.37 ± 0.33	J/mol×K	448.15	NIST
Cp,gas	168.11	J/mol×K	450.0	NIST
Cp,gas	174.75 ± 0.35	J/mol×K	473.15	NIST
Cp,gas	181.98 ± 0.36	J/mol×K	498.15	NIST
Cp,gas	182.39	J/mol×K	500.0	NIST
Cp,gas	189.08 ± 0.38	J/mol×K	523.15	NIST
Cp,gas	195.96	J/mol×K	550.0	NIST
Cp,gas	209.23	J/mol×K	600.0	NIST
Cp,gas	221.93	J/mol×K	650.0	NIST
Cp,gas	232.90	J/mol×K	700.0	NIST
Cp,liquid	[163.20; 168.60]	J/mol×K	[290.00; 298.15]
Cp,liquid	167.99	J/mol×K	290.0	NIST
Cp,liquid	163.20	J/mol×K	290.0	NIST
Cp,liquid	168.60	J/mol×K	298.0	NIST
Cp,liquid	167.19	J/mol×K	298.15	NIST
η	0.0002098	Pa×s	313.8	Joback Calculated Property
ΔfusH	[8.38; 8.41]	kJ/mol	[143.40; 143.50]
ΔfusH	8.38	kJ/mol	143.4	NIST
ΔfusH	8.41	kJ/mol	143.46	NIST
ΔfusH	8.40	kJ/mol	143.47	NIST
ΔfusH	8.40	kJ/mol	143.5	NIST
ΔfusH	8.40	kJ/mol	143.5	NIST
ΔsubH	42.00	kJ/mol	143.0	NIST
ΔvapH	[8.50; 32.30]	kJ/mol	[183.00; 460.00]
ΔvapH	32.30	kJ/mol	183.0	NIST
ΔvapH	29.80	kJ/mol	287.5	NIST
ΔvapH	26.20	kJ/mol	298.15	NIST
ΔvapH	27.90	kJ/mol	305.0	NIST
ΔvapH	25.79	kJ/mol	309.2	NIST
ΔvapH	25.50	kJ/mol	310.0	NIST
ΔvapH	23.00	kJ/mol	350.0	NIST
ΔvapH	26.70	kJ/mol	365.5	NIST
ΔvapH	26.10	kJ/mol	386.0	NIST
ΔvapH	19.70	kJ/mol	390.0	NIST
ΔvapH	15.10	kJ/mol	430.0	NIST
ΔvapH	26.20	kJ/mol	444.0	NIST
ΔvapH	8.50	kJ/mol	460.0	NIST
ΔfusS	58.41	J/mol×K	143.4	NIST
ΔfusS	58.66	J/mol×K	143.46	NIST
ΔfusS	58.56	J/mol×K	143.47	NIST
ΔvapS	87.88	J/mol×K	298.15	NIST

Molecular Descriptors

Joback and Reid Groups
-CH2-	3
-CH3	2

Similar Compounds

Find more compounds similar to Pentane.

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.