Chemical Properties of 1,3-Pentadiene, 3-methyl-, (Z)- (CAS 2787-45-3)

InChI

InChI=1S/C6H10/c1-4-6(3)5-2/h4-5H,1H2,2-3H3/b6-5+

InChI Key

BOGRNZQRTNVZCZ-AATRIKPKSA-N

Formula

C6H10

SMILES

C=CC(C)=CC

Molecular Weight¹

82.14

CAS

2787-45-3

Other Names

• (E)-3-Methyl-1,3-pentadiene
• (E)-CH2=CHC(CH3)=CHCH3
• (Z)-3-Methyl-1,3-pentadiene
• (Z)-CH2=CHC(CH3)=CHCH3
• 3-Methyl-1,3-pentadiene
• 3-Methyl-1,trans-3-pentadiene
• cis-3-Methyl-1,3-Pentadiene
• trans-3-Methyl-1,3-Pentadiene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_vapH° : Enthalpy of vaporization at standard conditions (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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2147		Relay (1.0) Calculated Property
ΔfG°	159.15	kJ/mol	Joback Calculated Property
ΔfH°gas	56.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.91	kJ/mol	Joback Calculated Property
ΔvapH°	29.98	kJ/mol	Relay (1.0) Calculated Property
IE	[8.37; 8.46]	eV
IE	8.46 ± 0.05	eV	NIST
IE	8.37 ± 0.05	eV	NIST
IE	8.39 ± 0.02	eV	NIST
IE	8.42	eV	NIST
IE	8.38	eV	NIST
log10WS	-2.55		Relay (1.0) Calculated Property
logPoct/wat	2.139		Crippen Calculated Property
McVol	86.800	ml/mol	McGowan Calculated Property
Pc	3480.65	kPa	Joback Calculated Property
Inp	[637.00; 647.00]
Inp	640.70		NIST
Inp	643.50		NIST
Inp	640.00		NIST
Inp	643.00		NIST
Inp	644.00		NIST
Inp	647.00		NIST
Inp	643.00		NIST
Inp	637.00		NIST
Inp	639.00		NIST
Inp	641.00		NIST
Inp	637.00		NIST
Tboil	346.29	K	Relay (1.0) Calculated Property
Tc	517.81	K	Relay (1.0) Calculated Property
Tfus	160.71	K	Relay (1.0) Calculated Property
Vc	0.317	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.16; 184.75]	J/mol×K	[337.40; 517.19]
Cp,gas	132.16	J/mol×K	337.40	Joback Calculated Property
Cp,gas	142.08	J/mol×K	367.36	Joback Calculated Property
Cp,gas	151.51	J/mol×K	397.33	Joback Calculated Property
Cp,gas	160.47	J/mol×K	427.29	Joback Calculated Property
Cp,gas	168.98	J/mol×K	457.26	Joback Calculated Property
Cp,gas	177.07	J/mol×K	487.22	Joback Calculated Property
Cp,gas	184.75	J/mol×K	517.19	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[254.04; 365.20]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45883e+01
Coefficient B			-2.93537e+03
Coefficient C			-4.87800e+01
Temperature range, min.			254.04
Temperature range, max.			365.20
Pvap	1.33	kPa	254.04	Calculated Property
Pvap	3.00	kPa	266.39	Calculated Property
Pvap	6.19	kPa	278.74	Calculated Property
Pvap	11.87	kPa	291.09	Calculated Property
Pvap	21.37	kPa	303.44	Calculated Property
Pvap	36.42	kPa	315.80	Calculated Property
Pvap	59.21	kPa	328.15	Calculated Property
Pvap	92.38	kPa	340.50	Calculated Property
Pvap	139.03	kPa	352.85	Calculated Property
Pvap	202.65	kPa	365.20	Calculated Property

Similar Compounds

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

Sources

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

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