Chemical Properties of 1,3-Octadiene (CAS 1002-33-1)

InChI

InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,5,7H,1,4,6,8H2,2H3

InChI Key

QTYUSOHYEPOHLV-UHFFFAOYSA-N

Formula

C8H14

SMILES

C=CC=CCCCC

Molecular Weight¹

110.20

CAS

1002-33-1

• 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).
• 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
ΔfG°	184.54	kJ/mol	Joback Calculated Property
ΔfH°gas	34.20	kJ/mol	Joback Calculated Property
ΔfusH°	15.40	kJ/mol	Joback Calculated Property
ΔvapH°	32.69	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	2.919		Crippen Calculated Property
McVol	114.980	ml/mol	McGowan Calculated Property
Pc	2793.56	kPa	Joback Calculated Property
Inp	[777.10; 830.00]
Inp	Outlier 777.10		NIST
Inp	827.00		NIST
Inp	826.00		NIST
Inp	827.00		NIST
Inp	819.00		NIST
Inp	827.00		NIST
Inp	830.00		NIST
Inp	829.00		NIST
Inp	829.00		NIST
Inp	820.00		NIST
Inp	822.00		NIST
Inp	825.00		NIST
Inp	827.00		NIST
Inp	827.00		NIST
Inp	825.00		NIST
Inp	Outlier 777.10		NIST
Inp	819.00		NIST
Inp	820.00		NIST
I	[954.00; 958.00]
I	954.00		NIST
I	958.00		NIST
I	954.00		NIST
Tboil	383.28	K	Joback Calculated Property
Tc	558.73	K	Joback Calculated Property
Tfus	173.08	K	Joback Calculated Property
Vc	0.445	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.47; 269.43]	J/mol×K	[383.28; 558.73]
Cp,gas	203.47	J/mol×K	383.28	Joback Calculated Property
Cp,gas	215.81	J/mol×K	412.52	Joback Calculated Property
Cp,gas	227.59	J/mol×K	441.76	Joback Calculated Property
Cp,gas	238.82	J/mol×K	471.01	Joback Calculated Property
Cp,gas	249.52	J/mol×K	500.25	Joback Calculated Property
Cp,gas	259.71	J/mol×K	529.49	Joback Calculated Property
Cp,gas	269.43	J/mol×K	558.73	Joback Calculated Property
η	[0.0001960; 0.0043022]	Pa×s	[173.08; 383.28]
η	0.0043022	Pa×s	173.08	Joback Calculated Property
η	0.0016670	Pa×s	208.11	Joback Calculated Property
η	0.0008489	Pa×s	243.15	Joback Calculated Property
η	0.0005124	Pa×s	278.18	Joback Calculated Property
η	0.0003462	Pa×s	313.21	Joback Calculated Property
η	0.0002531	Pa×s	348.25	Joback Calculated Property
η	0.0001960	Pa×s	383.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Octadiene.

Sources

• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.