Chemical Properties of Isoprene (CAS 78-79-5)

InChI

InChI=1S/C5H8/c1-4-5(2)3/h4H,1-2H2,3H3

InChI Key

RRHGJUQNOFWUDK-UHFFFAOYSA-N

Formula

C5H8

SMILES

C=CC(=C)C

Molecular Weight¹

68.12

CAS

78-79-5

Other Names

• 1,3-butadiene, 2-methyl-
• 2-Methylbuta-1,3-diene
• 2-Methylbutadiene
• 2-methyl-1,3-butadiene
• 3-Methyl-1,3-butadiene
• CH2=C(CH3)CH=CH2
• NSC 9237
• isopentadiene
• «beta»-Methylbivinyl

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• C_sat : Molar heat capacity at saturation pressure (J/mol×K).
• μ : Dipole Moment (debye).
• 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_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).
• IE : Ionization energy (eV).
• 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_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I : 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 : Gas thermal conductivity (W/m×K).
• λ : 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1583		ChemSep v8.3 pure component data
PAff	826.40	kJ/mol	NIST
BasG	797.60	kJ/mol	NIST
ΔcH°gas	-3186.60 ± 0.96	kJ/mol	NIST
ΔcH°liquid	-3158.20 ± 1.60	kJ/mol	NIST
μ	0.25	debye	ChemSep v8.3 pure component data
ΔfG°	145.90	kJ/mol	ChemSep v8.3 pure component data
ΔfH°gas	[75.70; 75.73]	kJ/mol
ΔfH°gas	75.73	kJ/mol	ChemSep v8.3 pure component data
ΔfH°gas	75.70 ± 1.00	kJ/mol	NIST
ΔfusH°	4.84	kJ/mol	Joback Calculated Property
ΔvapH°	[26.40; 26.80]	kJ/mol
ΔvapH°	26.40	kJ/mol	NIST
ΔvapH°	26.80 ± 0.30	kJ/mol	NIST
IE	[8.84; 9.04]	eV
IE	8.86 ± 0.02	eV	NIST
IE	8.85 ± 0.02	eV	NIST
IE	8.85	eV	NIST
IE	8.90 ± 0.10	eV	NIST
IE	8.89	eV	NIST
IE	8.85 ± 0.01	eV	NIST
IE	8.84 ± 0.01	eV	NIST
IE	8.85	eV	NIST
IE	8.85	eV	NIST
IE	8.87	eV	NIST
IE	Outlier 9.04	eV	NIST
log10WS	[-2.03; -2.03]
log10WS	-2.03		Aq. Solubility Prediction
log10WS	-2.03		Estimated Solubility
logPoct/wat	1.748		Crippen Calculated Property
McVol	72.710	ml/mol	McGowan Calculated Property
Pc	3850.03	kPa	ChemSep v8.3 pure component data
Ptriple	2.48e-06	kPa	ChemSep v8.3 pure component data
Inp	[491.50; 520.00]
Inp	496.00		NIST
Inp	508.00		NIST
Inp	506.00		NIST
Inp	499.00		NIST
Inp	497.50		NIST
Inp	507.00		NIST
Inp	497.60		NIST
Inp	Outlier 491.50		NIST
Inp	495.70		NIST
Inp	496.00		NIST
Inp	497.00		NIST
Inp	501.00		NIST
Inp	501.00		NIST
Inp	507.00		NIST
Inp	499.00		NIST
Inp	Outlier 514.00		NIST
Inp	511.00		NIST
Inp	506.00		NIST
Inp	504.00		NIST
Inp	502.20		NIST
Inp	504.00		NIST
Inp	Outlier 520.00		NIST
Inp	497.00		NIST
Inp	504.00		NIST
Inp	505.00		NIST
Inp	502.95		NIST
Inp	500.00		NIST
Inp	502.00		NIST
Inp	503.00		NIST
Inp	504.00		NIST
Inp	506.00		NIST
Inp	502.00		NIST
Inp	503.00		NIST
Inp	504.00		NIST
Inp	503.00		NIST
Inp	503.00		NIST
Inp	504.00		NIST
Inp	504.00		NIST
Inp	503.00		NIST
Inp	506.00		NIST
I	[602.00; 633.00]
I	624.00		NIST
I	602.00		NIST
I	633.00		NIST
I	633.00		NIST
S°gas	314.76	J/mol×K	NIST
S°liquid	[228.28; 229.30]	J/mol×K
S°liquid	228.28	J/mol×K	NIST
S°liquid	229.20	J/mol×K	NIST
S°liquid	229.30	J/mol×K	NIST
Tboil	[306.00; 309.65]	K
Tboil	307.20	K	ChemSep v8.3 pure component data
Tboil	307.30	K	NIST
Tboil	307.20 ± 2.00	K	NIST
Tboil	307.20 ± 1.00	K	NIST
Tboil	307.30 ± 0.50	K	NIST
Tboil	307.00 ± 1.50	K	NIST
Tboil	306.00 ± 2.00	K	NIST
Tboil	307.00 ± 0.60	K	NIST
Tboil	307.20 ± 0.50	K	NIST
Tboil	307.50 ± 0.50	K	NIST
Tboil	307.02 ± 0.60	K	NIST
Tboil	307.22 ± 0.20	K	NIST
Tboil	307.55 ± 1.50	K	NIST
Tboil	306.40 ± 1.00	K	NIST
Tboil	306.30 ± 1.00	K	NIST
Tboil	307.30 ± 0.50	K	NIST
Tboil	Outlier 309.65 ± 1.00	K	NIST
Tboil	Outlier 309.00 ± 2.00	K	NIST
Tc	484.00	K	ChemSep v8.3 pure component data
Tfus	[126.40; 153.00]	K
Tfus	127.27	K	ChemSep v8.3 pure component data
Tfus	127.18	K	Aq. Solubility Prediction
Tfus	127.18 ± 0.05	K	NIST
Tfus	127.20 ± 0.03	K	NIST
Tfus	127.10 ± 0.40	K	NIST
Tfus	126.96 ± 0.20	K	NIST
Tfus	127.01 ± 0.10	K	NIST
Tfus	126.40 ± 0.40	K	NIST
Tfus	Outlier 153.00 ± 10.00	K	NIST
Ttriple	[126.40; 127.27]	K
Ttriple	127.27	K	ChemSep v8.3 pure component data
Ttriple	127.27 ± 0.05	K	NIST
Ttriple	126.40 ± 0.20	K	NIST
Ttriple	127.27 ± 0.05	K	NIST
Ttriple	126.40 ± 0.20	K	NIST
UQi	3.01		ChemSep v8.3 pure component data
URi	3.36		ChemSep v8.3 pure component data
Vc	0.276	m3/kmol	ChemSep v8.3 pure component data
Zc	0.2640000		ChemSep v8.3 pure component data

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[151.08; 152.60]	J/mol×K	[298.15; 298.20]
Cp,liquid	151.08	J/mol×K	298.15	NIST
Cp,liquid	152.50	J/mol×K	298.15	NIST
Cp,liquid	152.60	J/mol×K	298.20	NIST
Csat	[122.30; 151.70]	J/mol×K	[130.00; 300.00]
Csat	122.60	J/mol×K	130.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	122.30	J/mol×K	140.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	122.40	J/mol×K	150.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	122.80	J/mol×K	160.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	123.40	J/mol×K	170.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	124.30	J/mol×K	180.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	125.50	J/mol×K	190.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	126.90	J/mol×K	200.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	128.50	J/mol×K	210.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	130.40	J/mol×K	220.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	132.50	J/mol×K	230.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	134.70	J/mol×K	240.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	137.20	J/mol×K	250.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	139.80	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	142.60	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	143.50	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	145.50	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	148.50	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	151.10	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	151.70	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	[4.83; 4.92]	kJ/mol	[126.40; 127.30]
ΔfusH	4.83	kJ/mol	126.40	NIST
ΔfusH	4.83	kJ/mol	126.40	NIST
ΔfusH	4.83	kJ/mol	126.40	NIST
ΔfusH	4.92	kJ/mol	127.27	NIST
ΔfusH	4.92	kJ/mol	127.27	NIST
ΔfusH	4.92	kJ/mol	127.30	NIST
ΔfusH	4.92	kJ/mol	127.30	NIST
ΔvapH	[25.80; 31.50]	kJ/mol	[225.50; 307.20]
ΔvapH	31.50	kJ/mol	225.50	NIST
ΔvapH	29.40	kJ/mol	237.50	NIST
ΔvapH	28.30	kJ/mol	285.00	NIST
ΔvapH	27.40	kJ/mol	288.00	NIST
ΔvapH	27.30	kJ/mol	299.00	NIST
ΔvapH	25.80	kJ/mol	307.20	NIST
n0	1.42180		293.15	Isobaric Vapor Liquid Equilibrium for Nine Binary Systems of Cracking C5 Fraction at 250 kPa
ΔfusS	[38.21; 38.69]	J/mol×K	[126.40; 127.27]
ΔfusS	38.21	J/mol×K	126.40	NIST
ΔfusS	38.21	J/mol×K	126.40	NIST
ΔfusS	38.21	J/mol×K	126.40	NIST
ΔfusS	38.69	J/mol×K	127.27	NIST
ΔfusS	38.69	J/mol×K	127.27	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[74.85; 255.31]	J/mol×K	[200.00; 1500.00]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.60670e+01
Coefficient B			-4.00720e+02
Coefficient C			5.28124e+00
Coefficient D			4.39810e-04
Coefficient E			-1.46810e-07
Comment			ChemSep eq 16, IdealGasHeatCapacityCp
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	74.85	J/mol×K	200.00	Calculated Property
Cp,gas	116.31	J/mol×K	344.44	Calculated Property
Cp,gas	149.77	J/mol×K	488.89	Calculated Property
Cp,gas	176.15	J/mol×K	633.33	Calculated Property
Cp,gas	197.37	J/mol×K	777.78	Calculated Property
Cp,gas	214.66	J/mol×K	922.22	Calculated Property
Cp,gas	228.73	J/mol×K	1066.67	Calculated Property
Cp,gas	240.04	J/mol×K	1211.11	Calculated Property
Cp,gas	248.83	J/mol×K	1355.56	Calculated Property
Cp,gas	255.31	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[122.70; 155.18]	J/mol×K	[130.32; 307.20]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.11430e+02
Coefficient B			5.79880e+02
Coefficient C			-6.79597e+00
Coefficient D			4.27130e-02
Coefficient E			-4.69910e-05
Comment			ChemSep eq 16, LiquidHeatCapacityCp
Temperature range, min.			130.32
Temperature range, max.			307.20
Cp,liquid	122.70	J/mol×K	130.32	Calculated Property
Cp,liquid	122.67	J/mol×K	149.97	Calculated Property
Cp,liquid	123.81	J/mol×K	169.63	Calculated Property
Cp,liquid	125.85	J/mol×K	189.28	Calculated Property
Cp,liquid	128.76	J/mol×K	208.93	Calculated Property
Cp,liquid	132.53	J/mol×K	228.59	Calculated Property
Cp,liquid	137.15	J/mol×K	248.24	Calculated Property
Cp,liquid	142.58	J/mol×K	267.89	Calculated Property
Cp,liquid	148.67	J/mol×K	287.55	Calculated Property
Cp,liquid	155.18	J/mol×K	307.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002598; 0.0001421]	Pa×s	[273.00; 343.00]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-8.30040e+00
Coefficient B			4.57060e+02
Coefficient C			-2.25830e-01
Coefficient D			-4.86740e-06
Coefficient E			2.00000e+00
Comment			ChemSep eq 101, LiquidViscosity
Temperature range, min.			273.00
Temperature range, max.			343.00
η	0.0002598	Pa×s	273.00	Calculated Property
η	0.0002413	Pa×s	280.78	Calculated Property
η	0.0002246	Pa×s	288.56	Calculated Property
η	0.0002095	Pa×s	296.33	Calculated Property
η	0.0001957	Pa×s	304.11	Calculated Property
η	0.0001831	Pa×s	311.89	Calculated Property
η	0.0001716	Pa×s	319.67	Calculated Property
η	0.0001610	Pa×s	327.44	Calculated Property
η	0.0001512	Pa×s	335.22	Calculated Property
η	0.0001421	Pa×s	343.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[34.77; 9.79]	kJ/mol	[127.27; 465.22]	ChemSep v8.3 pure component data
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			4.74820e+01
Coefficient B			1.74720e+00
Coefficient C			-3.71530e+00
Coefficient D			4.05080e+00
Coefficient E			-1.61340e+00
Critical temperature, Tc (K)			4.84000e+02
Comment			ChemSep eq 106, HeatOfVaporization
Temperature range, min.			127.27
Temperature range, max.			465.22
ΔvapH	34.77	kJ/mol	127.27	Calculated Property
ΔvapH	32.81	kJ/mol	164.82	Calculated Property
ΔvapH	31.06	kJ/mol	202.37	Calculated Property
ΔvapH	29.32	kJ/mol	239.92	Calculated Property
ΔvapH	27.42	kJ/mol	277.47	Calculated Property
ΔvapH	25.25	kJ/mol	315.02	Calculated Property
ΔvapH	22.68	kJ/mol	352.57	Calculated Property
ΔvapH	19.60	kJ/mol	390.12	Calculated Property
ΔvapH	15.72	kJ/mol	427.67	Calculated Property
ΔvapH	9.79	kJ/mol	465.22	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.97e-06; 3640.35]	kPa	[127.27; 484.00]	ChemSep v8.3 pure component data
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			5.27361e+01
Coefficient B			-4.80858e+03
Coefficient C			-5.72301e+00
Coefficient D			3.32546e-06
Coefficient E			2.00000e+00
Comment			ChemSep eq 101, VaporPressure
Temperature range, min.			127.27
Temperature range, max.			484.00
Pvap	2.97e-06	kPa	127.27	Calculated Property
Pvap	5.15e-03	kPa	166.91	Calculated Property
Pvap	0.40	kPa	206.54	Calculated Property
Pvap	6.64	kPa	246.18	Calculated Property
Pvap	45.52	kPa	285.82	Calculated Property
Pvap	182.07	kPa	325.45	Calculated Property
Pvap	513.77	kPa	365.09	Calculated Property
Pvap	1145.12	kPa	404.73	Calculated Property
Pvap	2165.18	kPa	444.36	Calculated Property
Pvap	3640.35	kPa	484.00	Calculated Property
Pvap	[10.86; 3761.79]	kPa	[255.15; 483.30]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			7.59285e+01
Coefficient B			-5.60831e+03
Coefficient C			-9.40749e+00
Coefficient D			8.78776e-06
Coefficient E			0.00000e+00
Temperature range, min.			255.15
Temperature range, max.			483.30
Pvap	10.86	kPa	255.15	Calculated Property
Pvap	36.60	kPa	280.50	Calculated Property
Pvap	96.91	kPa	305.85	Calculated Property
Pvap	214.89	kPa	331.20	Calculated Property
Pvap	417.14	kPa	356.55	Calculated Property
Pvap	732.07	kPa	381.90	Calculated Property
Pvap	1189.37	kPa	407.25	Calculated Property
Pvap	1821.05	kPa	432.60	Calculated Property
Pvap	2663.69	kPa	457.95	Calculated Property
Pvap	3761.79	kPa	483.30	Calculated Property
Pvap	[0.85; 3.35]	kPa	[215.60; 234.92]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40186e+01
Coefficient B			-2.55161e+03
Coefficient C			-3.57310e+01
Reference			Osborn and Douslin, 1969
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			215.60
Temperature range, max.			234.92
Pvap	0.85	kPa	215.60	Calculated Property
Pvap	1.00	kPa	217.75	Calculated Property
Pvap	1.18	kPa	219.89	Calculated Property
Pvap	1.38	kPa	222.04	Calculated Property
Pvap	1.61	kPa	224.19	Calculated Property
Pvap	1.88	kPa	226.33	Calculated Property
Pvap	2.18	kPa	228.48	Calculated Property
Pvap	2.53	kPa	230.63	Calculated Property
Pvap	2.91	kPa	232.77	Calculated Property
Pvap	3.35	kPa	234.92	Calculated Property
Pvap	[53.83; 100.44]	kPa	[289.90; 307.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.20100e+01
Coefficient B			-1.62774e+03
Coefficient C			-8.70460e+01
Reference			Gubkov, Fermor, et al., 1964
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			289.90
Temperature range, max.			307.00
Pvap	53.83	kPa	289.90	Calculated Property
Pvap	57.99	kPa	291.80	Calculated Property
Pvap	62.38	kPa	293.70	Calculated Property
Pvap	67.02	kPa	295.60	Calculated Property
Pvap	71.92	kPa	297.50	Calculated Property
Pvap	77.07	kPa	299.40	Calculated Property
Pvap	82.49	kPa	301.30	Calculated Property
Pvap	88.19	kPa	303.20	Calculated Property
Pvap	94.17	kPa	305.10	Calculated Property
Pvap	100.44	kPa	307.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[831.35; 415.93]	kg/m3	[127.27; 465.22]	ChemSep v8.3 pure component data
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			6.52302e+01
Coefficient B			2.65000e-01
Coefficient C			4.84000e+02
Coefficient D			2.85870e-01
Comment			ChemSep eq 105, LiquidDensity
Temperature range, min.			127.27
Temperature range, max.			465.22
ρl	831.35	kg/m3	127.27	Calculated Property
ρl	800.28	kg/m3	164.82	Calculated Property
ρl	767.79	kg/m3	202.37	Calculated Property
ρl	733.57	kg/m3	239.92	Calculated Property
ρl	697.15	kg/m3	277.47	Calculated Property
ρl	657.84	kg/m3	315.02	Calculated Property
ρl	614.51	kg/m3	352.57	Calculated Property
ρl	565.06	kg/m3	390.12	Calculated Property
ρl	504.73	kg/m3	427.67	Calculated Property
ρl	415.93	kg/m3	465.22	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 7.24e-04]	N/m	[127.27; 465.22]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-1.14740e-02
Coefficient B			1.90020e+01
Coefficient C			-3.01140e+00
Coefficient D			-4.08830e-04
Coefficient E			-5.75600e-06
Comment			ChemSep eq 16, SurfaceTension
Temperature range, min.			127.27
Temperature range, max.			465.22
γ	0.04	N/m	127.27	Calculated Property
γ	0.03	N/m	164.82	Calculated Property
γ	0.03	N/m	202.37	Calculated Property
γ	0.02	N/m	239.92	Calculated Property
γ	0.02	N/m	277.47	Calculated Property
γ	0.01	N/m	315.02	Calculated Property
γ	0.01	N/m	352.57	Calculated Property
γ	0.01	N/m	390.12	Calculated Property
γ	0.00	N/m	427.67	Calculated Property
γ	7.24e-04	N/m	465.22	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.00; 0.09]	W/m×K	[127.27; 1000.00]	ChemSep v8.3 pure component data
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λ in W/m×K, T in K
Coefficient A			1.07750e-03
Coefficient B			7.31050e-01
Coefficient C			6.57170e+02
Coefficient D			1.12780e+05
Comment			ChemSep eq 102, VaporThermalConductivity
Temperature range, min.			127.27
Temperature range, max.			1000.00
λ	0.00	W/m×K	127.27	Calculated Property
λ	0.01	W/m×K	224.24	Calculated Property
λ	0.02	W/m×K	321.21	Calculated Property
λ	0.03	W/m×K	418.18	Calculated Property
λ	0.04	W/m×K	515.15	Calculated Property
λ	0.05	W/m×K	612.12	Calculated Property
λ	0.06	W/m×K	709.09	Calculated Property
λ	0.07	W/m×K	806.06	Calculated Property
λ	0.08	W/m×K	903.03	Calculated Property
λ	0.09	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λ	[0.18; 0.12]	W/m×K	[133.15; 307.20]	ChemSep v8.3 pure component data
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λ in W/m×K, T in K
Coefficient A			-9.31380e-03
Coefficient B			-4.74750e+01
Coefficient C			-8.26540e-01
Coefficient D			-3.78280e-03
Coefficient E			8.22450e-07
Comment			ChemSep eq 16, LiquidThermalConductivity
Temperature range, min.			133.15
Temperature range, max.			307.20
λ	0.18	W/m×K	133.15	Calculated Property
λ	0.17	W/m×K	152.49	Calculated Property
λ	0.17	W/m×K	171.83	Calculated Property
λ	0.16	W/m×K	191.17	Calculated Property
λ	0.15	W/m×K	210.51	Calculated Property
λ	0.15	W/m×K	229.84	Calculated Property
λ	0.14	W/m×K	249.18	Calculated Property
λ	0.13	W/m×K	268.52	Calculated Property
λ	0.12	W/m×K	287.86	Calculated Property
λ	0.12	W/m×K	307.20	Calculated Property

Similar Compounds

Find more compounds similar to Isoprene.

Mixtures

• Isoprene + Cyclopentane
• Isoprene + 2-Butene, 2-methyl-
• Isoprene + Cyclopentene

Sources

• KDB Vapor Pressure Data
• 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
• Isobaric Vapor Liquid Equilibrium for Nine Binary Systems of Cracking C5 Fraction at 250 kPa
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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