Chemical Properties of Benzene, 1-methyl-2-(2-propenyl)- (CAS 1587-04-8)

InChI

InChI=1S/C10H12/c1-3-6-10-8-5-4-7-9(10)2/h3-5,7-8H,1,6H2,2H3

InChI Key

SVIHJJUMPAUQNO-UHFFFAOYSA-N

Formula

C10H12

SMILES

C=CCc1ccccc1C

Molecular Weight¹

132.20

CAS

1587-04-8

Other Names

• Toluene, o-allyl-
• o-Allyltoluene
• 1-Allyl-2-methylbenzene
• 2-Allyl-1-methylbenzene
• 2-Allyltoluene
• 1-Methyl-2-(2-propenyl)benzene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (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_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).
• 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
ω	0.3155		Relay (1.0) Calculated Property
ΔfG°	223.94	kJ/mol	Joback Calculated Property
ΔfH°gas	121.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.03	kJ/mol	Joback Calculated Property
ΔvapH°	50.74	kJ/mol	Relay (1.0) Calculated Property
IE	7.78 ± 0.04	eV	NIST
log10WS	-3.13		Relay (1.0) Calculated Property
logPoct/wat	2.724		Crippen Calculated Property
McVol	123.700	ml/mol	McGowan Calculated Property
Pc	3018.96	kPa	Joback Calculated Property
Inp	[1004.00; 1055.00]
Inp	1055.00		NIST
Inp	1041.00		NIST
Inp	1004.00		NIST
Inp	1041.00		NIST
Inp	1004.00		NIST
Inp	1055.00		NIST
I	[1442.00; 1446.00]
I	1446.00		NIST
I	1446.00		NIST
I	1442.00		NIST
I	1446.00		NIST
Tboil	448.00 ± 4.00	K	NIST
Tc	662.70	K	Relay (1.0) Calculated Property
Tfus	209.72	K	Relay (1.0) Calculated Property
Vc	0.446	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.67; 313.51]	J/mol×K	[456.74; 667.37]
Cp,gas	240.67	J/mol×K	456.74	Joback Calculated Property
Cp,gas	254.68	J/mol×K	491.85	Joback Calculated Property
Cp,gas	267.90	J/mol×K	526.95	Joback Calculated Property
Cp,gas	280.36	J/mol×K	562.06	Joback Calculated Property
Cp,gas	292.09	J/mol×K	597.16	Joback Calculated Property
Cp,gas	303.13	J/mol×K	632.27	Joback Calculated Property
Cp,gas	313.51	J/mol×K	667.37	Joback Calculated Property
η	[0.0002158; 0.0021934]	Pa×s	[239.64; 456.74]
η	0.0021934	Pa×s	239.64	Joback Calculated Property
η	0.0011566	Pa×s	275.82	Joback Calculated Property
η	0.0007075	Pa×s	312.01	Joback Calculated Property
η	0.0004793	Pa×s	348.19	Joback Calculated Property
η	0.0003494	Pa×s	384.37	Joback Calculated Property
η	0.0002690	Pa×s	420.56	Joback Calculated Property
η	0.0002158	Pa×s	456.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-methyl-2-(2-propenyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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