Chemical Properties of 1,3-Pentadiene, (Z)- (CAS 1574-41-0)

InChI

InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4-

InChI Key

PMJHHCWVYXUKFD-PLNGDYQASA-N

Formula

C5H8

SMILES

C=CC=CC

Molecular Weight¹

68.12

CAS

1574-41-0

Other Names

• (Z)-1,3-Pentadiene
• (Z)-CH2=CHCH=CHCH3
• (Z)-penta-1,3-diene
• 1,cis-3-Pentadiene
• Pentadiene-1,3, cis-
• cis-1,3-Pentadiene
• cis-1-Methylbutadiene
• cis-Piperylene

• 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).
• 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_vap : Vapor pressure (kPa).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2020		Relay (1.0) Calculated Property
ΔcH°gas	-3193.60 ± 0.88	kJ/mol	NIST
ΔfG°	159.28	kJ/mol	Joback Calculated Property
ΔfH°gas	82.72 ± 0.92	kJ/mol	NIST
ΔfusH°	7.63	kJ/mol	Joback Calculated Property
ΔvapH°	28.30	kJ/mol	NIST
IE	[8.59; 8.67]	eV
IE	8.62 ± 0.03	eV	NIST
IE	8.64	eV	NIST
IE	8.67 ± 0.02	eV	NIST
IE	8.59	eV	NIST
IE	8.63	eV	NIST
IE	8.60	eV	NIST
IE	8.60	eV	NIST
log10WS	-2.07		Relay (1.0) Calculated Property
logPoct/wat	1.748		Crippen Calculated Property
McVol	72.710	ml/mol	McGowan Calculated Property
Pc	3886.79	kPa	Joback Calculated Property
Inp	[510.00; 541.20]
Inp	524.00		NIST
Inp	537.00		NIST
Inp	Outlier 510.00		NIST
Inp	525.00		NIST
Inp	524.80		NIST
Inp	524.40		NIST
Inp	525.10		NIST
Inp	536.10		NIST
Inp	522.80		NIST
Inp	524.00		NIST
Inp	525.00		NIST
Inp	527.00		NIST
Inp	527.00		NIST
Inp	541.20		NIST
Inp	Outlier 510.50		NIST
Inp	536.00		NIST
Inp	524.00		NIST
Inp	536.00		NIST
Inp	536.00		NIST
Inp	532.00		NIST
Inp	524.00		NIST
Inp	524.40		NIST
Inp	525.00		NIST
Inp	536.00		NIST
S°gas	322.80	J/mol×K	NIST
S°liquid	233.25	J/mol×K	NIST
Tboil	[316.00; 317.30]	K
Tboil	317.30	K	NIST
Tboil	317.18 ± 0.40	K	NIST
Tboil	317.20 ± 0.40	K	NIST
Tboil	316.65 ± 1.00	K	NIST
Tboil	316.00 ± 2.00	K	NIST
Tc	485.09	K	Relay (1.0) Calculated Property
Tfus	[131.57; 132.33]	K
Tfus	132.31	K	KDB
Tfus	132.31 ± 0.04	K	NIST
Tfus	132.31 ± 0.03	K	NIST
Tfus	132.33 ± 0.02	K	NIST
Tfus	131.57 ± 0.50	K	NIST
Ttriple	[132.35; 132.35]	K
Ttriple	132.35 ± 0.05	K	NIST
Ttriple	132.35 ± 0.05	K	NIST
Vc	0.274	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	146.57	J/mol×K	298.15	NIST
Csat	[128.30; 149.90]	J/mol×K	[140.00; 310.00]
Csat	130.10	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	129.20	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	128.60	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	128.30	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	128.30	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	128.60	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	129.10	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	129.90	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	131.00	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
Csat	132.30	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	133.80	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	135.60	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	137.50	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	139.70	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
Csat	140.40	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	142.00	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	144.50	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	146.60	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	147.10	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
Csat	149.90	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
ΔfusH	[5.64; 5.64]	kJ/mol	[132.35; 132.40]
ΔfusH	5.64	kJ/mol	132.35	NIST
ΔfusH	5.64	kJ/mol	132.35	NIST
ΔfusH	5.64	kJ/mol	132.40	NIST
ΔfusH	5.64	kJ/mol	132.40	NIST
ΔvapH	[28.80; 31.90]	kJ/mol	[227.50; 303.50]
ΔvapH	31.90	kJ/mol	227.50	NIST
ΔvapH	31.20	kJ/mol	242.50	NIST
ΔvapH	30.10	kJ/mol	290.50	NIST
ΔvapH	28.80	kJ/mol	303.50	NIST
ΔfusS	[42.60; 42.60]	J/mol×K	[132.35; 132.35]
ΔfusS	42.60	J/mol×K	132.35	NIST
ΔfusS	42.60	J/mol×K	132.35	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[87.74; 218.19]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.88300e+01
Coefficient B			4.78820e-01
Coefficient C			-3.54900e-04
Coefficient D			1.13100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	87.74	J/mol×K	273.00	Calculated Property
Cp,gas	111.15	J/mol×K	353.78	Calculated Property
Cp,gas	131.51	J/mol×K	434.56	Calculated Property
Cp,gas	149.15	J/mol×K	515.33	Calculated Property
Cp,gas	164.44	J/mol×K	596.11	Calculated Property
Cp,gas	177.75	J/mol×K	676.89	Calculated Property
Cp,gas	189.41	J/mol×K	757.67	Calculated Property
Cp,gas	199.81	J/mol×K	838.44	Calculated Property
Cp,gas	209.28	J/mol×K	919.22	Calculated Property
Cp,gas	218.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032584; 0.0001299]	Pa×s	[132.17; 343.42]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.09647e+01
Coefficient B			6.92320e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			132.17
Temperature range, max.			343.42
η	0.0032584	Pa×s	132.17	Calculated Property
η	0.0014788	Pa×s	155.64	Calculated Property
η	0.0008256	Pa×s	179.11	Calculated Property
η	0.0005275	Pa×s	202.58	Calculated Property
η	0.0003699	Pa×s	226.06	Calculated Property
η	0.0002773	Pa×s	249.53	Calculated Property
η	0.0002185	Pa×s	273.00	Calculated Property
η	0.0001787	Pa×s	296.47	Calculated Property
η	0.0001506	Pa×s	319.95	Calculated Property
η	0.0001299	Pa×s	343.42	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[227.24; 340.25]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37915e+01
Coefficient B			-2.57592e+03
Coefficient C			-3.64890e+01
Temperature range, min.			227.24
Temperature range, max.			340.25
Pvap	1.33	kPa	227.24	Calculated Property
Pvap	3.07	kPa	239.80	Calculated Property
Pvap	6.41	kPa	252.35	Calculated Property
Pvap	12.36	kPa	264.91	Calculated Property
Pvap	22.24	kPa	277.47	Calculated Property
Pvap	37.77	kPa	290.02	Calculated Property
Pvap	61.00	kPa	302.58	Calculated Property
Pvap	94.36	kPa	315.14	Calculated Property
Pvap	140.57	kPa	327.69	Calculated Property
Pvap	202.63	kPa	340.25	Calculated Property
Pvap	[2.08e-06; 3762.04]	kPa	[132.35; 499.00]	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			6.03742e+01
Coefficient B			-5.30049e+03
Coefficient C			-6.85336e+00
Coefficient D			4.24873e-06
Coefficient E			0.00000e+00
Temperature range, min.			132.35
Temperature range, max.			499.00
Pvap	2.08e-06	kPa	132.35	Calculated Property
Pvap	4.33e-03	kPa	173.09	Calculated Property
Pvap	0.37	kPa	213.83	Calculated Property
Pvap	6.45	kPa	254.57	Calculated Property
Pvap	45.31	kPa	295.31	Calculated Property
Pvap	183.68	kPa	336.04	Calculated Property
Pvap	522.06	kPa	376.78	Calculated Property
Pvap	1169.45	kPa	417.52	Calculated Property
Pvap	2222.53	kPa	458.26	Calculated Property
Pvap	3762.04	kPa	499.00	Calculated Property
Pvap	[0.35; 3.05]	kPa	[213.14; 242.22]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40879e+01
Coefficient B			-2.64028e+03
Coefficient C			-3.87190e+01
Reference			Osborn and Douslin, 1969
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			213.14
Temperature range, max.			242.22
Pvap	0.35	kPa	213.14	Calculated Property
Pvap	0.46	kPa	216.37	Calculated Property
Pvap	0.60	kPa	219.60	Calculated Property
Pvap	0.78	kPa	222.83	Calculated Property
Pvap	0.99	kPa	226.06	Calculated Property
Pvap	1.26	kPa	229.30	Calculated Property
Pvap	1.59	kPa	232.53	Calculated Property
Pvap	1.99	kPa	235.76	Calculated Property
Pvap	2.47	kPa	238.99	Calculated Property
Pvap	3.05	kPa	242.22	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Pentadiene, (Z)-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• 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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