Chemical Properties of 3-Heptene, 3-methyl- (CAS 7300-03-0)

InChI

InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h7H,4-6H2,1-3H3/b8-7+

InChI Key

AAUHUDBDDBJONC-BQYQJAHWSA-N

Formula

C8H16

SMILES

CCCC=C(C)CC

Molecular Weight¹

112.21

CAS

7300-03-0

Other Names

• 2-Hexene, 2-ethyl
• 3-Methyl-3-heptene
• 3-Methyl-3-heptene (c,t)
• 3-Methylhept-3-ene

• 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).
• 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.
• I : 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
ΔfG°	88.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-101.02	kJ/mol	Joback Calculated Property
ΔfusH°	15.37	kJ/mol	Joback Calculated Property
ΔvapH°	33.44	kJ/mol	Joback Calculated Property
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	3.143		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2687.42	kPa	Joback Calculated Property
Inp	[784.00; 793.00]
Inp	793.00		NIST
Inp	784.00		NIST
Inp	793.00		NIST
I	[833.00; 840.00]
I	833.00		NIST
I	840.00		NIST
I	833.00		NIST
Tboil	[391.65; 394.35]	K
Tboil	394.35 ± 1.50	K	NIST
Tboil	391.65 ± 3.00	K	NIST
Tboil	394.15 ± 2.00	K	NIST
Tboil	394.25 ± 0.70	K	NIST
Tc	561.75	K	Joback Calculated Property
Tfus	160.88	K	Joback Calculated Property
Vc	0.465	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.03; 288.64]	J/mol×K	[386.48; 561.75]
Cp,gas	218.03	J/mol×K	386.48	Joback Calculated Property
Cp,gas	231.15	J/mol×K	415.69	Joback Calculated Property
Cp,gas	243.70	J/mol×K	444.90	Joback Calculated Property
Cp,gas	255.70	J/mol×K	474.11	Joback Calculated Property
Cp,gas	267.18	J/mol×K	503.32	Joback Calculated Property
Cp,gas	278.15	J/mol×K	532.54	Joback Calculated Property
Cp,gas	288.64	J/mol×K	561.75	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[292.82; 419.07]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49449e+01
Coefficient B			-3.54847e+03
Coefficient C			-5.07240e+01
Temperature range, min.			292.82
Temperature range, max.			419.07
Pvap	1.33	kPa	292.82	Calculated Property
Pvap	2.98	kPa	306.85	Calculated Property
Pvap	6.11	kPa	320.88	Calculated Property
Pvap	11.68	kPa	334.90	Calculated Property
Pvap	21.02	kPa	348.93	Calculated Property
Pvap	35.88	kPa	362.96	Calculated Property
Pvap	58.48	kPa	376.99	Calculated Property
Pvap	91.57	kPa	391.01	Calculated Property
Pvap	138.37	kPa	405.04	Calculated Property
Pvap	202.62	kPa	419.07	Calculated Property

Similar Compounds

Find more compounds similar to 3-Heptene, 3-methyl-.

Sources

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

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