Chemical Properties of 1-Triacontene (CAS 18435-53-5)

InChI

InChI=1S/C30H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-30H2,2H3

InChI Key

WMZHDICSCDKPFS-UHFFFAOYSA-N

Formula

C30H60

SMILES

C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

420.80

CAS

18435-53-5

Other Names

• 1-Tricontene
• triacont-1-ene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	1.1762		Relay (1.0) Calculated Property
ΔfG°	289.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-555.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.18	kJ/mol	Joback Calculated Property
ΔvapH°	150.64	kJ/mol	Relay (1.0) Calculated Property
IE	10.01	eV	Relay (1.0) Calculated Property
log10WS	-11.04		Relay (1.0) Calculated Property
logPoct/wat	11.725		Crippen Calculated Property
McVol	429.260	ml/mol	McGowan Calculated Property
Pc	607.86	kPa	Joback Calculated Property
Inp	[2993.00; 2998.00]
Inp	2993.00		NIST
Inp	2995.00		NIST
Inp	2998.00		NIST
Inp	2995.00		NIST
Tboil	664.55	K	Relay (1.0) Calculated Property
Tc	821.20	K	Relay (1.0) Calculated Property
Tfus	317.20	K	Relay (1.0) Calculated Property
Vc	1.701	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.09; 1538.55]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.73730e+01
Coefficient B			2.83382e+00
Coefficient C			-1.63110e-03
Coefficient D			3.63200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	632.09	J/mol×K	273.00	Calculated Property
Cp,gas	787.11	J/mol×K	353.78	Calculated Property
Cp,gas	925.87	J/mol×K	434.56	Calculated Property
Cp,gas	1049.53	J/mol×K	515.33	Calculated Property
Cp,gas	1159.23	J/mol×K	596.11	Calculated Property
Cp,gas	1256.11	J/mol×K	676.89	Calculated Property
Cp,gas	1341.34	J/mol×K	757.67	Calculated Property
Cp,gas	1416.06	J/mol×K	838.44	Calculated Property
Cp,gas	1481.41	J/mol×K	919.22	Calculated Property
Cp,gas	1538.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010833; 0.0000456]	Pa×s	[426.10; 760.52]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.40328e+01
Coefficient B			3.07008e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			426.10
Temperature range, max.			760.52
η	0.0010833	Pa×s	426.10	Calculated Property
η	0.0006078	Pa×s	463.26	Calculated Property
η	0.0003716	Pa×s	500.42	Calculated Property
η	0.0002432	Pa×s	537.57	Calculated Property
η	0.0001681	Pa×s	574.73	Calculated Property
η	0.0001215	Pa×s	611.89	Calculated Property
η	0.0000912	Pa×s	649.05	Calculated Property
η	0.0000706	Pa×s	686.21	Calculated Property
η	0.0000561	Pa×s	723.36	Calculated Property
η	0.0000456	Pa×s	760.52	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[554.42; 761.06]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.53472e+01
Coefficient B			-6.21647e+03
Coefficient C			-1.41630e+02
Temperature range, min.			554.42
Temperature range, max.			761.06
Pvap	1.33	kPa	554.42	Calculated Property
Pvap	2.95	kPa	577.38	Calculated Property
Pvap	6.02	kPa	600.34	Calculated Property
Pvap	11.49	kPa	623.30	Calculated Property
Pvap	20.66	kPa	646.26	Calculated Property
Pvap	35.32	kPa	669.22	Calculated Property
Pvap	57.73	kPa	692.18	Calculated Property
Pvap	90.73	kPa	715.14	Calculated Property
Pvap	137.71	kPa	738.10	Calculated Property
Pvap	202.64	kPa	761.06	Calculated Property

Similar Compounds

Find more compounds similar to 1-Triacontene.

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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