1,2-Pentadiene (CAS 591-95-7)

InChI

InChI=1S/C5H8/c1-3-5-4-2/h5H,1,4H2,2H3

InChI Key

LVMTVPFRTKXRPH-UHFFFAOYSA-N

Formula

C5H8

SMILES

C=C=CCC

Molecular Weight¹

68.12

CAS

591-95-7

Other Names

1-Methyl-2,3-butadiene
CH2=C=CHCH2CH3
Ethylallene
penta-1,2-diene

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.
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).
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.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
ω	0.1730		KDB
Δ_cH°_gas	-3251.60 ± 0.63	kJ/mol	NIST
Δ_fG°	210.60	kJ/mol	KDB
Δ_c,grossH	3222.77	kJ/mol	KDB
Δ_c,netH	3046.705	kJ/mol	KDB
Δ_fH°_gas	[140.60; 145.70]	kJ/mol
Δ_fH°_gas	145.70	kJ/mol	KDB
Δ_fH°_gas	140.60 ± 0.67	kJ/mol	NIST
Δ_fusH°	9.56	kJ/mol	Joback Calculated Property
Δ_vapH°	28.70	kJ/mol	NIST
IE	[9.22; 9.42]	eV
IE	9.25 ± 0.02	eV	NIST
IE	9.42	eV	NIST
IE	9.22	eV	NIST
logP_oct/wat	1.737		Crippen Calculated Property
McVol	72.710	ml/mol	McGowan Calculated Property
P_c	4070.00	kPa	KDB
I_np	[525.00; 527.00]
I_np	526.00		NIST
I_np	Outlier 525.00		NIST
I_np	526.00		NIST
I_np	526.00		NIST
I_np	526.00		NIST
I_np	526.00		NIST
I_np	527.00		NIST
I_np	527.00		NIST
I_np	527.00		NIST
I_np	527.00		NIST
I_np	526.00		NIST
S°_gas	334.80	J/mol×K	NIST
S°_liquid	244.97	J/mol×K	NIST
T_boil	[318.00; 319.00]	K
T_boil	318.00	K	KDB
T_boil	318.10 ± 0.40	K	NIST
T_boil	319.00 ± 2.00	K	NIST
T_boil	318.00 ± 1.00	K	NIST
T_c	503.00	K	KDB
T_fus	[135.82; 135.90]	K
T_fus	135.90	K	KDB
T_fus	135.88 ± 0.03	K	NIST
T_fus	135.87 ± 0.04	K	NIST
T_fus	135.89 ± 0.02	K	NIST
T_fus	135.84 ± 0.03	K	NIST
T_fus	135.82 ± 0.04	K	NIST
T_triple	[135.89; 135.89]	K
T_triple	135.89 ± 0.05	K	NIST
T_triple	135.89 ± 0.05	K	NIST
V_c	0.276	m³/kmol	KDB
Z_c	0.2685960		KDB
Z_ra	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
C_p,gas	[109.06; 147.61]	J/mol×K	[313.75; 491.67]

C_p,gas	109.06	J/mol×K	313.75	Joback Calculated Property
C_p,gas	115.97	J/mol×K	343.40	Joback Calculated Property
C_p,gas	122.69	J/mol×K	373.06	Joback Calculated Property
C_p,gas	129.22	J/mol×K	402.71	Joback Calculated Property
C_p,gas	135.54	J/mol×K	432.36	Joback Calculated Property
C_p,gas	141.68	J/mol×K	462.02	Joback Calculated Property
C_p,gas	147.61	J/mol×K	491.67	Joback Calculated Property
C_p,liquid	150.83	J/mol×K	298.15	NIST
C_sat	[131.00; 153.70]	J/mol×K	[140.00; 310.00]

C_sat	131.00	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
C_sat	131.00	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	131.10	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	131.40	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
C_sat	132.00	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	132.70	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	133.70	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	134.80	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	136.00	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	137.50	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
C_sat	139.10	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	140.80	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	142.70	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	144.60	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
C_sat	145.30	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	146.80	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	149.00	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	150.80	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	151.30	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	153.70	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
Δ_fusH	[7.56; 7.56]	kJ/mol	[135.89; 135.90]
Δ_fusH	7.56	kJ/mol	135.89	NIST
Δ_fusH	7.56	kJ/mol	135.89	NIST
Δ_fusH	7.56	kJ/mol	135.90	NIST
Δ_fusH	7.56	kJ/mol	135.90	NIST
Δ_vapH	[27.57; 32.20]	kJ/mol	[229.00; 318.00]

Δ_vapH	32.20	kJ/mol	229.00	NIST
Δ_vapH	31.60	kJ/mol	240.00	NIST
Δ_vapH	30.60	kJ/mol	290.00	NIST
Δ_vapH	29.10	kJ/mol	302.00	NIST
Δ_vapH	27.57	kJ/mol	318.00	KDB
n₀	1.41773		298.15	KDB
ρ_l	693.00	kg/m³	293.00	KDB
Δ_fusS	[55.63; 55.63]	J/mol×K	[135.89; 135.89]
Δ_fusS	55.63	J/mol×K	135.89	NIST
Δ_fusS	55.63	J/mol×K	135.89	NIST
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.66]	kPa	[228.17; 340.98]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38337e+01
Coefficient B			-2.59213e+03
Coefficient C			-3.68150e+01
Temperature range, min.			228.17
Temperature range, max.			340.98

P_vap	1.33	kPa	228.17	Calculated Property
P_vap	3.07	kPa	240.70	Calculated Property
P_vap	6.40	kPa	253.24	Calculated Property
P_vap	12.33	kPa	265.77	Calculated Property
P_vap	22.20	kPa	278.31	Calculated Property
P_vap	37.70	kPa	290.84	Calculated Property
P_vap	60.91	kPa	303.38	Calculated Property
P_vap	94.26	kPa	315.91	Calculated Property
P_vap	140.51	kPa	328.45	Calculated Property
P_vap	202.66	kPa	340.98	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Pentadiene.

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.

Chemical Properties of 1,2-Pentadiene (CAS 591-95-7)

Physical Properties

Temperature Dependent Properties

Correlations

Similar Compounds

Sources