Chemical Properties of Allene (CAS 463-49-0)

InChI

InChI=1S/C3H4/c1-3-2/h1-2H2

InChI Key

IYABWNGZIDDRAK-UHFFFAOYSA-N

Formula

C3H4

SMILES

C=C=C

Molecular Weight¹

40.06

CAS

463-49-0

Other Names

• 1,2-Propadiene
• CH2=C=CH2
• Dimethylenemethane
• Propa-1,2-diene
• Propadiene
• Propadiene (Allene)
• sym-Allylene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• 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).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• V_COSTALD : COSTALD Characteristic Volume (m³/kmol).
• ω_SRK : SRK acentric factor.
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.0645; 0.3130]
ω	0.0645		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3125		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.1220		ChemSep v8.3 pure component data Compiled value
ω	0.3130		KDB
PAff	775.30	kJ/mol	NIST
BasG	745.80	kJ/mol	NIST
μ	[0.00; 0.20]	debye
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
μ	0.20	debye	KDB
ΔfG°	[200.80; 202.50]	kJ/mol
ΔfG°	200.80	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	202.50	kJ/mol	KDB
Δc,grossH	1928.82	kJ/mol	KDB
Δc,netH	1840.960	kJ/mol	KDB
ΔfH°gas	[190.16; 192.30]	kJ/mol
ΔfH°gas	190.16 ± 0.36	kJ/mol	Active Thermochemical Tables 1.112, gas-phase enthalpies of formation Compiled value
ΔfH°gas	190.50	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	192.30	kJ/mol	KDB
ΔfusH°	2.89	kJ/mol	Joback Calculated Property
ΔvapH°	11.65	kJ/mol	Relay (1.0) Calculated Property
IE	[9.53; 10.20]	eV
IE	9.69 ± 0.00	eV	NIST
IE	9.69 ± 0.00	eV	NIST
IE	10.06	eV	NIST
IE	9.69 ± 0.00	eV	NIST
IE	9.70 ± 0.00	eV	NIST
IE	9.62 ± 0.02	eV	NIST
IE	9.62	eV	NIST
IE	10.02 ± 0.00	eV	NIST
IE	9.53 ± 0.03	eV	NIST
IE	9.83	eV	NIST
IE	9.69	eV	NIST
IE	9.62 ± 0.04	eV	NIST
IE	10.00	eV	NIST
IE	10.20 ± 0.10	eV	NIST
IE	10.02	eV	NIST
IE	10.07	eV	NIST
logPoct/wat	0.957		Crippen Calculated Property
McVol	44.530	ml/mol	McGowan Calculated Property
Pc	[5250.00; 5467.54]	kPa
Pc	5250.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 6 Compiled value
Pc	5250.00	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	Outlier 5467.54	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	5250.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	5250.00	kPa	KDB
Pc	5250.00	kPa	NIST
Ptriple	0.02	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[311.00; 337.00]
Inp	329.50		NIST
Inp	311.00		NIST
Inp	316.00		NIST
Inp	317.00		NIST
Inp	318.00		NIST
Inp	319.00		NIST
Inp	320.00		NIST
Inp	336.00		NIST
Inp	326.00		NIST
Inp	326.00		NIST
Inp	337.00		NIST
Tboil	[238.00; 241.00]	K
Tboil	238.77	K	ChemSep v8.3 pure component data Compiled value
Tboil	238.70	K	KDB
Tboil	241.00	K	NIST
Tboil	241.00 ± 4.00	K	NIST
Tboil	238.00 ± 2.00	K	NIST
Tboil	238.65 ± 0.40	K	NIST
Tboil	238.85 ± 1.00	K	NIST
Tboil	239.51 ± 1.00	K	NIST
Tboil	241.00 ± 3.00	K	NIST
Tc	[393.15; 394.00]	K
Tc	394.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 6 Compiled value
Tc	393.90	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	Outlier 393.15	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	394.00	K	ChemSep v8.3 pure component data Compiled value
Tc	394.00	K	KDB
Tc	394.00	K	NIST
Tfus	[127.00; 137.10]	K
Tfus	136.95	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	136.87	K	ChemSep v8.3 pure component data Compiled value
Tfus	136.87	K	KDB
Tfus	137.10 ± 0.30	K	NIST
Tfus	127.00 ± 10.00	K	NIST
Ttriple	[136.59; 136.87]	K
Ttriple	136.60	K	Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple	136.87	K	ChemSep v8.3 pure component data Compiled value
Ttriple	136.59 ± 0.20	K	NIST
UQi	1.53		ChemSep v8.3 pure component data Compiled value
URi	1.79		ChemSep v8.3 pure component data Compiled value
Vc	[0.162; 0.174]	m3/kmol
Vc	0.166	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.174	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.162	m3/kmol	KDB
VCOSTALD	0.17	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.14		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	[0.2596220; 0.2790000]
Zc	0.2790000		ChemSep v8.3 pure component data Compiled value
Zc	0.2596220		KDB
Zra	[0.26; 0.27]
Zra	0.26		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra	0.27		KDB

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[40.63; 67.86]	J/mol×K	[148.20; 366.45]
Cp,gas	40.63 ± 0.16	J/mol×K	148.20	NIST
Cp,gas	41.49 ± 0.17	J/mol×K	157.80	NIST
Cp,gas	47.53 ± 0.19	J/mol×K	213.10	NIST
Cp,gas	48.30 ± 0.19	J/mol×K	218.40	NIST
Cp,gas	49.02 ± 0.20	J/mol×K	223.70	NIST
Cp,gas	53.31 ± 0.21	J/mol×K	258.00	NIST
Cp,gas	55.23 ± 0.22	J/mol×K	272.16	NIST
Cp,gas	59.33 ± 0.24	J/mol×K	300.00	NIST
Cp,gas	63.81 ± 0.26	J/mol×K	334.00	NIST
Cp,gas	67.86 ± 0.27	J/mol×K	366.45	NIST
ΔvapH	[18.62; 22.90]	kJ/mol	[163.50; 241.20]
ΔvapH	22.90	kJ/mol	163.50	NIST
ΔvapH	21.30	kJ/mol	195.50	NIST
ΔvapH	22.60	kJ/mol	205.00	NIST
ΔvapH	19.90	kJ/mol	219.50	NIST
ΔvapH	20.90	kJ/mol	219.50	NIST
ΔvapH	21.50	kJ/mol	230.00	NIST
ΔvapH	18.62	kJ/mol	241.20	KDB
ρl	658.00	kg/m3	238.00	KDB
γ	0.02	N/m	233.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[35.04; 133.69]	J/mol×K	[80.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.46715e+01
Coefficient B			-4.47498e+02
Coefficient C			4.55780e+00
Coefficient D			4.44481e-04
Coefficient E			-1.47083e-07
Temperature range, min.			80.00
Temperature range, max.			1500.00
Cp,gas	35.04	J/mol×K	80.00	Calculated Property
Cp,gas	50.68	J/mol×K	237.78	Calculated Property
Cp,gas	70.52	J/mol×K	395.56	Calculated Property
Cp,gas	86.61	J/mol×K	553.33	Calculated Property
Cp,gas	99.40	J/mol×K	711.11	Calculated Property
Cp,gas	109.71	J/mol×K	868.89	Calculated Property
Cp,gas	118.04	J/mol×K	1026.67	Calculated Property
Cp,gas	124.70	J/mol×K	1184.44	Calculated Property
Cp,gas	129.88	J/mol×K	1342.22	Calculated Property
Cp,gas	133.69	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[78.67; 103.27]	J/mol×K	[137.60; 362.60]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			7.86650e+01
Coefficient B			-1.24220e+04
Coefficient C			1.44172e+02
Coefficient D			-5.33560e-01
Coefficient E			6.59860e-04
Temperature range, min.			137.60
Temperature range, max.			362.60
Cp,liquid	78.67	J/mol×K	137.60	Calculated Property
Cp,liquid	78.88	J/mol×K	162.60	Calculated Property
Cp,liquid	81.62	J/mol×K	187.60	Calculated Property
Cp,liquid	87.11	J/mol×K	212.60	Calculated Property
Cp,liquid	89.35	J/mol×K	237.60	Calculated Property
Cp,liquid	88.23	J/mol×K	262.60	Calculated Property
Cp,liquid	86.90	J/mol×K	287.60	Calculated Property
Cp,liquid	87.03	J/mol×K	312.60	Calculated Property
Cp,liquid	90.30	J/mol×K	337.60	Calculated Property
Cp,liquid	103.27	J/mol×K	362.60	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005780; 0.0001023]	Pa×s	[136.87; 373.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.51530e+00
Coefficient B			3.10760e+02
Coefficient C			-3.47250e-02
Coefficient D			-2.15430e-06
Coefficient E			2.00000e+00
Temperature range, min.			136.87
Temperature range, max.			373.00
η	0.0005780	Pa×s	136.87	Calculated Property
η	0.0003920	Pa×s	163.11	Calculated Property
η	0.0002936	Pa×s	189.34	Calculated Property
η	0.0002339	Pa×s	215.58	Calculated Property
η	0.0001942	Pa×s	241.82	Calculated Property
η	0.0001658	Pa×s	268.05	Calculated Property
η	0.0001443	Pa×s	294.29	Calculated Property
η	0.0001275	Pa×s	320.53	Calculated Property
η	0.0001138	Pa×s	346.76	Calculated Property
η	0.0001023	Pa×s	373.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[24.42; 6.43]	kJ/mol	[136.87; 380.47]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			1.54657e+01
Coefficient B			-3.72244e+00
Coefficient C			1.14573e+01
Coefficient D			-1.29266e+01
Coefficient E			5.52282e+00
Critical temperature, Tc (K)			3.94000e+02
Temperature range, min.			136.87
Temperature range, max.			380.47
ΔvapH	24.42	kJ/mol	136.87	Calculated Property
ΔvapH	23.72	kJ/mol	163.94	Calculated Property
ΔvapH	22.67	kJ/mol	191.00	Calculated Property
ΔvapH	21.43	kJ/mol	218.07	Calculated Property
ΔvapH	20.07	kJ/mol	245.14	Calculated Property
ΔvapH	18.57	kJ/mol	272.20	Calculated Property
ΔvapH	16.79	kJ/mol	299.27	Calculated Property
ΔvapH	14.48	kJ/mol	326.34	Calculated Property
ΔvapH	11.25	kJ/mol	353.40	Calculated Property
ΔvapH	6.43	kJ/mol	380.47	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.02; 5353.93]	kPa	[136.87; 394.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			5.28941e+01
Coefficient B			-3.74530e+03
Coefficient C			-6.03652e+00
Coefficient D			8.20516e-06
Coefficient E			2.00000e+00
Temperature range, min.			136.87
Temperature range, max.			394.00
Pvap	0.02	kPa	136.87	Calculated Property
Pvap	0.70	kPa	165.44	Calculated Property
Pvap	8.15	kPa	194.01	Calculated Property
Pvap	46.74	kPa	222.58	Calculated Property
Pvap	170.87	kPa	251.15	Calculated Property
Pvap	463.17	kPa	279.72	Calculated Property
Pvap	1022.21	kPa	308.29	Calculated Property
Pvap	1951.43	kPa	336.86	Calculated Property
Pvap	3356.92	kPa	365.43	Calculated Property
Pvap	5353.93	kPa	394.00	Calculated Property
Pvap	[0.14; 99.92]	kPa	[152.50; 238.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.33506e+01
Coefficient B			-1.73911e+03
Coefficient C			-3.91590e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			152.50
Temperature range, max.			238.00
Pvap	0.14	kPa	152.50	Calculated Property
Pvap	0.45	kPa	162.00	Calculated Property
Pvap	1.23	kPa	171.50	Calculated Property
Pvap	2.97	kPa	181.00	Calculated Property
Pvap	6.42	kPa	190.50	Calculated Property
Pvap	12.65	kPa	200.00	Calculated Property
Pvap	23.13	kPa	209.50	Calculated Property
Pvap	39.66	kPa	219.00	Calculated Property
Pvap	64.43	kPa	228.50	Calculated Property
Pvap	99.92	kPa	238.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[774.77; 293.75]	kg/m3	[136.87; 392.34]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			3.46749e+01
Coefficient B			1.97320e-01
Coefficient C			3.94000e+02
Coefficient D			2.10290e-01
Temperature range, min.			136.87
Temperature range, max.			392.34
ρl	774.77	kg/m3	136.87	Calculated Property
ρl	747.34	kg/m3	165.26	Calculated Property
ρl	718.19	kg/m3	193.64	Calculated Property
ρl	686.93	kg/m3	222.03	Calculated Property
ρl	652.94	kg/m3	250.41	Calculated Property
ρl	615.28	kg/m3	278.80	Calculated Property
ρl	572.32	kg/m3	307.18	Calculated Property
ρl	520.80	kg/m3	335.57	Calculated Property
ρl	451.94	kg/m3	363.95	Calculated Property
ρl	293.75	kg/m3	392.34	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 5.84e-04]	N/m	[136.87; 380.47]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-4.78860e-02
Coefficient B			-2.52470e+00
Coefficient C			-2.14530e+00
Coefficient D			-2.61560e-03
Coefficient E			8.30960e-07
Temperature range, min.			136.87
Temperature range, max.			380.47
γ	0.03	N/m	136.87	Calculated Property
γ	0.03	N/m	163.94	Calculated Property
γ	0.02	N/m	191.00	Calculated Property
γ	0.02	N/m	218.07	Calculated Property
γ	0.02	N/m	245.14	Calculated Property
γ	0.01	N/m	272.20	Calculated Property
γ	0.01	N/m	299.27	Calculated Property
γ	0.01	N/m	326.34	Calculated Property
γ	0.00	N/m	353.40	Calculated Property
γ	5.84e-04	N/m	380.47	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.10]	W/m×K	[136.87; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			5.96630e-05
Coefficient B			1.07820e+00
Coefficient C			9.02710e+00
Coefficient D			6.56660e+04
Temperature range, min.			136.87
Temperature range, max.			1000.00
λgas	0.00	W/m×K	136.87	Calculated Property
λgas	0.01	W/m×K	232.77	Calculated Property
λgas	0.02	W/m×K	328.68	Calculated Property
λgas	0.03	W/m×K	424.58	Calculated Property
λgas	0.04	W/m×K	520.48	Calculated Property
λgas	0.05	W/m×K	616.39	Calculated Property
λgas	0.06	W/m×K	712.29	Calculated Property
λgas	0.07	W/m×K	808.19	Calculated Property
λgas	0.08	W/m×K	904.10	Calculated Property
λgas	0.10	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.18; 0.09]	W/m×K	[136.87; 353.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			6.06300e-02
Coefficient B			1.69420e+02
Coefficient C			-4.69410e+00
Coefficient D			1.44360e-02
Coefficient E			-3.62490e-05
Temperature range, min.			136.87
Temperature range, max.			353.15
λliquid	0.18	W/m×K	136.87	Calculated Property
λliquid	0.17	W/m×K	160.90	Calculated Property
λliquid	0.16	W/m×K	184.93	Calculated Property
λliquid	0.15	W/m×K	208.96	Calculated Property
λliquid	0.14	W/m×K	232.99	Calculated Property
λliquid	0.13	W/m×K	257.03	Calculated Property
λliquid	0.12	W/m×K	281.06	Calculated Property
λliquid	0.11	W/m×K	305.09	Calculated Property
λliquid	0.10	W/m×K	329.12	Calculated Property
λliquid	0.09	W/m×K	353.15	Calculated Property

Similar Compounds

Find more compounds similar to Allene.

Sources

• Active Thermochemical Tables 1.112, gas-phase enthalpies of formation ChEDL chemicals 1.5.2, from Active Thermochemical Tables (ATcT), version 1.112, Argonne National Laboratory; Ruscic, B. et al. Active Thermochemical Tables: Thermochemistry for the 21st Century. J. Phys.: Conf. Ser. 2005, 16, 561.
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 6 ChEDL chemicals 1.5.2, from Tsonopoulos, C.; Ambrose, D. Vapor-Liquid Critical Properties of Elements and Compounds. 6. Unsaturated Aliphatic Hydrocarbons. J. Chem. Eng. Data 1996, 41, 645-656.
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Staveley, Lobo and Calado (1981), triple points ChEDL chemicals 1.5.2, from Staveley, L. A. K.; Lobo, L. Q.; Calado, J. C. G. Triple-Points of Low Melting Substances and Their Use in Cryogenic Work. Cryogenics 1981, 21, 131-144.
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.