2,3-Pentadiene (CAS 591-96-8)

InChI

InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2H3

InChI Key

PODAMDNJNMAKAZ-UHFFFAOYSA-N

Formula

C5H8

SMILES

CC=C=CC

Molecular Weight¹

68.12

CAS

591-96-8

Other Names

1,3-Dimethylallene
CH3CH=C=CHCH3

ω : Acentric Factor.
Δ_cH°_gas : Standard gas 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).
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_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).
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.
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).
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/kmol).
Z_c : Critical Compressibility.
¹: Molecular weight from the IUPAC atomic weights tables.

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Physical Properties

Property	Value	Unit	Source
ω	0.2040		KDB
Δ_cH°_gas	-3243.90 ± 0.67	kJ/mol	NIST
Δ_fG°	199.72	kJ/mol	Joback Calculated Property
Δ_c,grossH	3214.27	kJ/mol	KDB
Δ_c,netH	3038.253	kJ/mol	KDB
Δ_fH°_gas	133.00 ± 0.71	kJ/mol	NIST
Δ_fusH°	11.04	kJ/mol	Joback Calculated Property
Δ_vapH°	29.50	kJ/mol	NIST
IE	[9.13; 9.26]	eV
IE	9.13 ± 0.02	eV	NIST
IE	9.26	eV	NIST
IE	9.13	eV	NIST
logP_oct/wat	1.737		Crippen Calculated Property
McVol	72.710	ml/mol	McGowan Calculated Property
P_c	4140.00	kPa	KDB
I_np	[530.00; 556.00]
I_np	531.00		NIST
I_np	530.00		NIST
I_np	530.00		NIST
I_np	531.10		NIST
I_np	530.00		NIST
I_np	530.00		NIST
I_np	532.00		NIST
I_np	531.00		NIST
I_np	531.00		NIST
I_np	530.00		NIST
I_np	539.00		NIST
I_np	544.00		NIST
I_np	Outlier 556.00		NIST
I_np	531.00		NIST
I_np	530.00		NIST
I_np	539.00		NIST
I_np	544.00		NIST
I_np	Outlier 556.00		NIST
S°_gas	329.11	J/mol×K	NIST
S°_liquid	237.32	J/mol×K	NIST
T_boil	[321.35; 321.40]	K
T_boil	321.40	K	KDB
T_boil	321.35 ± 0.40	K	NIST
T_c	505.80	K	KDB
T_fus	[147.43; 148.00]	K
T_fus	Outlier 148.00	K	KDB
T_fus	147.43 ± 0.06	K	NIST
T_fus	147.43 ± 0.20	K	NIST
T_fus	147.46 ± 0.05	K	NIST
T_fus	147.47 ± 0.04	K	NIST
T_fus	147.50 ± 0.02	K	NIST
T_triple	[147.52; 147.52]	K
T_triple	147.52 ± 0.05	K	NIST
T_triple	147.52 ± 0.05	K	NIST
V_c	0.276	m³/kmol	KDB
Z_c	0.2712100		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
C_p,gas	[107.19; 147.68]	J/mol×K	[321.23; 505.54]

C_p,gas	107.19	J/mol×K	321.23	Joback Calculated Property
C_p,gas	114.59	J/mol×K	351.95	Joback Calculated Property
C_p,gas	121.71	J/mol×K	382.67	Joback Calculated Property
C_p,gas	128.58	J/mol×K	413.39	Joback Calculated Property
C_p,gas	135.19	J/mol×K	444.11	Joback Calculated Property
C_p,gas	141.56	J/mol×K	474.82	Joback Calculated Property
C_p,gas	147.68	J/mol×K	505.54	Joback Calculated Property
C_p,liquid	152.34	J/mol×K	298.15	NIST
C_sat	[135.90; 157.40]	J/mol×K	[150.00; 320.00]

C_sat	135.90	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
C_sat	135.90	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
C_sat	136.10	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
C_sat	136.40	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
C_sat	136.90	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
C_sat	137.60	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
C_sat	138.40	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
C_sat	139.40	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
C_sat	140.60	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
C_sat	141.90	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
C_sat	143.40	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
C_sat	145.00	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
C_sat	146.70	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
C_sat	147.30	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
C_sat	148.60	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
C_sat	150.60	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
C_sat	152.40	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
C_sat	152.80	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
C_sat	155.00	J/mol×K	310.00	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
C_sat	157.40	J/mol×K	320.00	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
Δ_fusH	[6.13; 6.13]	kJ/mol	[147.50; 147.52]
Δ_fusH	6.13	kJ/mol	147.50	NIST
Δ_fusH	6.13	kJ/mol	147.50	NIST
Δ_fusH	6.13	kJ/mol	147.52	NIST
Δ_fusH	6.13	kJ/mol	147.52	NIST
Δ_vapH	[28.24; 33.20]	kJ/mol	[230.00; 321.40]

Δ_vapH	33.20	kJ/mol	230.00	NIST
Δ_vapH	32.30	kJ/mol	246.00	NIST
Δ_vapH	31.10	kJ/mol	294.00	NIST
Δ_vapH	29.60	kJ/mol	310.00	NIST
Δ_vapH	28.24	kJ/mol	321.40	KDB
n₀	1.42509		298.15	KDB
Δ_fusS	[44.93; 44.93]	J/mol×K	[147.52; 147.52]
Δ_fusS	44.93	J/mol×K	147.52	NIST
Δ_fusS	44.93	J/mol×K	147.52	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.62]	kPa	[232.42; 343.71]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41058e+01
Coefficient B			-2.69205e+03
Coefficient C			-3.76010e+01
Temperature range, min.			232.42
Temperature range, max.			343.71

P_vap	1.33	kPa	232.42	Calculated Property
P_vap	3.04	kPa	244.79	Calculated Property
P_vap	6.32	kPa	257.15	Calculated Property
P_vap	12.16	kPa	269.52	Calculated Property
P_vap	21.88	kPa	281.88	Calculated Property
P_vap	37.20	kPa	294.25	Calculated Property
P_vap	60.26	kPa	306.61	Calculated Property
P_vap	93.54	kPa	318.98	Calculated Property
P_vap	139.93	kPa	331.34	Calculated Property
P_vap	202.62	kPa	343.71	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Pentadiene.

Sources

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Chemical Properties of 2,3-Pentadiene (CAS 591-96-8)

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

Sources