Chemical Properties of 1,3,5-heptatriene (CAS 2196-23-8)

InChI

InChI=1S/C7H10/c1-3-5-7-6-4-2/h3-7H,1H2,2H3

InChI Key

USKZHEQYENVSMH-UHFFFAOYSA-N

Formula

C7H10

SMILES

C=CC=CC=CC

Molecular Weight¹

94.15

CAS

2196-23-8

• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-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	0.2214		Relay (1.0) Calculated Property
ΔfG°	256.34	kJ/mol	Joback Calculated Property
ΔfH°gas	118.51	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.01	kJ/mol	Joback Calculated Property
ΔvapH°	34.84	kJ/mol	Relay (1.0) Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
log10WS	-2.86		Relay (1.0) Calculated Property
logPoct/wat	2.305		Crippen Calculated Property
McVol	96.590	ml/mol	McGowan Calculated Property
Pc	3287.81	kPa	Joback Calculated Property
Inp	[777.00; 798.00]
Inp	777.00		NIST
Inp	790.00		NIST
Inp	798.00		NIST
Tboil	373.23	K	Relay (1.0) Calculated Property
Tc	548.68	K	Relay (1.0) Calculated Property
Tfus	268.94	K	Relay (1.0) Calculated Property
Vc	0.354	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.45; 209.10]	J/mol×K	[364.56; 550.14]
Cp,gas	152.45	J/mol×K	364.56	Joback Calculated Property
Cp,gas	163.36	J/mol×K	395.49	Joback Calculated Property
Cp,gas	173.63	J/mol×K	426.42	Joback Calculated Property
Cp,gas	183.31	J/mol×K	457.35	Joback Calculated Property
Cp,gas	192.43	J/mol×K	488.28	Joback Calculated Property
Cp,gas	201.01	J/mol×K	519.21	Joback Calculated Property
Cp,gas	209.10	J/mol×K	550.14	Joback Calculated Property
η	[0.0001546; 0.0034902]	Pa×s	[156.73; 364.56]
η	0.0034902	Pa×s	156.73	Joback Calculated Property
η	0.0012974	Pa×s	191.37	Joback Calculated Property
η	0.0006532	Pa×s	226.01	Joback Calculated Property
η	0.0003947	Pa×s	260.64	Joback Calculated Property
η	0.0002684	Pa×s	295.28	Joback Calculated Property
η	0.0001979	Pa×s	329.92	Joback Calculated Property
η	0.0001546	Pa×s	364.56	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[287.87; 400.22]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.60094e+01
Coefficient B			-3.76120e+03
Coefficient C			-4.86390e+01
Temperature range, min.			287.87
Temperature range, max.			400.22
Pvap	1.33	kPa	287.87	Calculated Property
Pvap	2.91	kPa	300.35	Calculated Property
Pvap	5.89	kPa	312.84	Calculated Property
Pvap	11.19	kPa	325.32	Calculated Property
Pvap	20.13	kPa	337.80	Calculated Property
Pvap	34.49	kPa	350.29	Calculated Property
Pvap	56.60	kPa	362.77	Calculated Property
Pvap	89.45	kPa	375.25	Calculated Property
Pvap	136.68	kPa	387.74	Calculated Property
Pvap	202.64	kPa	400.22	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-heptatriene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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