Chemical Properties of 2,3-Pentadiene, 2,4-dimethyl- (CAS 1000-87-9)

InChI

InChI=1S/C7H12/c1-6(2)5-7(3)4/h1-4H3

InChI Key

DZSNJASVIURWOG-UHFFFAOYSA-N

Formula

C7H12

SMILES

CC(C)=C=C(C)C

Molecular Weight¹

96.17

CAS

1000-87-9

Other Names

• (CH3)2C=C=C(CH3)2
• 1,1,3,3-Tetramethylallene
• 2,4-Dimethyl-2,3-pentadiene
• 2,4-dimethylpenta-2,3-diene
• Allene, tetramethyl-
• Tetramethylallene

• 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).
• 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
ΔfG°	199.46	kJ/mol	Joback Calculated Property
ΔfH°gas	72.61	kJ/mol	Joback Calculated Property
ΔfusH°	13.60	kJ/mol	Joback Calculated Property
ΔvapH°	31.73	kJ/mol	Joback Calculated Property
IE	[8.47; 8.53]	eV
IE	8.53	eV	NIST
IE	8.47	eV	NIST
log10WS	-2.48		Crippen Calculated Property
logPoct/wat	2.518		Crippen Calculated Property
McVol	100.890	ml/mol	McGowan Calculated Property
Pc	3318.18	kPa	Joback Calculated Property
Tboil	[356.00; 356.00]	K
Tboil	356.00 ± 3.00	K	NIST
Tboil	356.00 ± 4.00	K	NIST
Tc	558.45	K	Joback Calculated Property
Tfus	142.16	K	Joback Calculated Property
Vc	0.390	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.58; 231.89]	J/mol×K	[366.75; 558.45]
Cp,gas	172.58	J/mol×K	366.75	Joback Calculated Property
Cp,gas	183.53	J/mol×K	398.70	Joback Calculated Property
Cp,gas	194.04	J/mol×K	430.65	Joback Calculated Property
Cp,gas	204.12	J/mol×K	462.60	Joback Calculated Property
Cp,gas	213.78	J/mol×K	494.55	Joback Calculated Property
Cp,gas	223.03	J/mol×K	526.50	Joback Calculated Property
Cp,gas	231.89	J/mol×K	558.45	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[268.34; 376.71]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58583e+01
Coefficient B			-3.54255e+03
Coefficient C			-4.08270e+01
Temperature range, min.			268.34
Temperature range, max.			376.71
Pvap	1.33	kPa	268.34	Calculated Property
Pvap	2.92	kPa	280.38	Calculated Property
Pvap	5.92	kPa	292.42	Calculated Property
Pvap	11.26	kPa	304.46	Calculated Property
Pvap	20.25	kPa	316.50	Calculated Property
Pvap	34.67	kPa	328.55	Calculated Property
Pvap	56.85	kPa	340.59	Calculated Property
Pvap	89.73	kPa	352.63	Calculated Property
Pvap	136.89	kPa	364.67	Calculated Property
Pvap	202.63	kPa	376.71	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Pentadiene, 2,4-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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