Chemical Properties of 2-Methyl-1, cis-3-pentadiene (CAS 1501-60-6)

InChI

InChI=1S/C6H10/c1-4-5-6(2)3/h4-5H,2H2,1,3H3/b5-4-

InChI Key

RCJMVGJKROQDCB-PLNGDYQASA-N

Formula

C6H10

SMILES

C=C(C)C=CC

Molecular Weight¹

82.14

CAS

1501-60-6

Other Names

• (Z)-1,3-Pentadiene, 2-methyl-
• 1,3-Pentadiene, 2-methyl-, (Z)-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	58.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.91	kJ/mol	Joback Calculated Property
ΔvapH°	31.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.65 ± 0.03	eV	NIST
log10WS	-2.63		Relay (1.0) Calculated Property
logPoct/wat	2.139		Crippen Calculated Property
McVol	86.800	ml/mol	McGowan Calculated Property
Inp	[600.00; 629.00]
Inp	602.00		NIST
Inp	603.30		NIST
Inp	602.90		NIST
Inp	626.00		NIST
Inp	628.00		NIST
Inp	629.00		NIST
Inp	629.00		NIST
Inp	600.00		NIST
Inp	601.00		NIST
Inp	602.00		NIST
Inp	602.00		NIST
Inp	602.00		NIST
Inp	629.00		NIST
Tboil	339.19	K	Relay (1.0) Calculated Property
Tfus	171.28	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[109.10; 269.51]	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			-1.94300e+01
Coefficient B			5.73740e-01
Coefficient C			-4.11600e-04
Coefficient D			1.26800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	109.10	J/mol×K	273.00	Calculated Property
Cp,gas	137.65	J/mol×K	353.78	Calculated Property
Cp,gas	162.57	J/mol×K	434.56	Calculated Property
Cp,gas	184.28	J/mol×K	515.33	Calculated Property
Cp,gas	203.18	J/mol×K	596.11	Calculated Property
Cp,gas	219.67	J/mol×K	676.89	Calculated Property
Cp,gas	234.14	J/mol×K	757.67	Calculated Property
Cp,gas	247.01	J/mol×K	838.44	Calculated Property
Cp,gas	258.66	J/mol×K	919.22	Calculated Property
Cp,gas	269.51	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-1, cis-3-pentadiene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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